Sodium;prop-2-enamide;prop-2-enoate;prop-2-enoic acid

CAS 62649-23-4  ·  C9H12NNaO5  ·  MW 237.18 g/mol

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3D model Sodium;prop-2-enamide;prop-2-enoate;prop-2-enoic acid, CAS 62649-23-4, molecular formula C9H12NNaO5, molar mass 237.18 g/mol
About Sodium;prop-2-enamide;prop-2-enoate;prop-2-enoic acid

Sodium;prop-2-enamide;prop-2-enoate;prop-2-enoic acid is a chemical compound registered under number CAS 62649-23-4, with the molecular formula C9H12NNaO5, and a molar mass of 237.18 g/mol.

The molecule contains 28 atoms connected by 25 chemical bonds. The full systematic IUPAC name of this compound is sodium;prop-2-enamide;prop-2-enoate;prop-2-enoic acid. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, polar surface area PSA = 121 Ų, 2 donors and 5 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC9H12NNaO5
Molar mass237.18 g/mol
IUPACsodium;prop-2-enamide;prop-2-enoate;prop-2-enoic acid
SMILESC=CC(=O)N.C=CC(=O)O.C=CC(=O)[O-].[Na+]
InChIKeyDTBMFUOWAASNDB-UHFFFAOYSA-M
logP (XLogP3)—
PSA121 Ų
HBD / HBA2 / 5
PubChem CIDCID 23696299 ↗
Scientific literature

Brak articles naukowych dla CAS 62649-23-4 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
62649-23-4 · sodium;prop-2-enamide;prop-2-enoate;prop-2-enoic acid · SCHEMBL15464233 · CID 23696299 · FP179681 · Poly(acrylamide-co-acrylic acid) partial sodium · 2-Propenoic acid, polymer with 2-propenamide and sodium 2-propenoate (1:1)
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

This substance consists of 4 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/23696299
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
Sodium;prop-2-enamide;prop-2-enoate;prop-2-enoic acid (CAS 62649-23-4), C9H12NNaO5 - 3D ball-and-stick molecular model, engraved element symbols (C H N Na O), MolGod STL previewDownload image

MG-STL-62649-23-4-ENGRAVED · 391,310 △ · 19 MB · SHA-256 f42b8bd05ac11cab

Download 3D model · ENGRAVED · C H N Na O

Sodium;prop-2-enamide;prop-2-enoate;prop-2-enoic acid (CAS 62649-23-4), C9H12NNaO5 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-62649-23-4-NORMAL · 11,840 △ · 578 KB · SHA-256 c556ea3c3cb4348a

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Model
Sodium;prop-2-enamide;prop-2-enoate;prop-2-enoic acid · 62649-23-4
InChIKey
DTBMFUOWAASNDB-UHFFFAOYSA-M
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Sodium;prop-2-enamide;prop-2-enoate;prop-2-enoic acid (CAS 62649-23-4)
License & provenance record
Sodium;prop-2-enamide;prop-2-enoate;prop-2-enoic acid (CAS 62649-23-4) →
MolGod molecule record
Sodium;prop-2-enamide;prop-2-enoate;prop-2-enoic acid →
Source data
PubChem CID 23696299 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
c556ea3c3cb4348a0fe86c2ec399a0c444ddfc1e44fec27d443395782e80a5d2
MD5 (STL)
61220c0d55b789b843cb77009e9c439b
Model identifier
MG-STL-62649-23-4
Transformation
MolGod Scientific ball-and-stick mesh
Changes
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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