N-methyl-2-pyrrolidone

CAS 872-50-4  ·  C5H9NO  ·  MW 99.13 g/mol

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3D model N-methyl-2-pyrrolidone, CAS 872-50-4, molecular formula C5H9NO, molar mass 99.13 g/mol
About N-methyl-2-pyrrolidone

N-methyl-2-pyrrolidone is a chemical compound registered under number CAS 872-50-4, with the molecular formula C5H9NO, and a molar mass of 99.13 g/mol.

The molecule contains 16 atoms connected by 16 chemical bonds. The full systematic IUPAC name of this compound is 1-methylpyrrolidin-2-one. 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, the partition coefficient logP = -0.5 (negative value, a hydrophilic compound), polar surface area PSA = 20.3 Ų, 0 donors and 1 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 formulaC5H9NO
Masa molowa99.13 g/mol
IUPAC1-methylpyrrolidin-2-one
SMILESCN1CCCC1=O
InChIKeySECXISVLQFMRJM-UHFFFAOYSA-N
logP (XLogP3)-0.5
PSA20.3 Ų
HBD / HBA0 / 1
PubChem CIDCID 13387 ↗
GHS safety

Signal word: Danger

GHS07
GHS07
GHS08
GHS08

? — H360D

H335 — Może powodować podrażnienie dróg oddechowych

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

Scientific literature

Related literature

7 articles · 4 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (7 articles)

1992: 1 articles19922010: 1 articles2020: 1 articles2022: 2 articles20222023: 1 articles2024: 1 articles2024

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Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
1-METHYL-2-PYRROLIDINONE · 872-50-4 · N-Methyl-2-pyrrolidone · N-Methylpyrrolidone · N-Methyl-2-pyrrolidinone · Methylpyrrolidone · 1-Methyl-2-pyrrolidone · 1-Methylpyrrolidone · Methyl pyrrolidone · N-Methylpyrrolidinone · 1-Methylpyrrolidinone · n-methyl-pyrrolidone · 1-Methyl-5-pyrrolidinone · 2-Pyrrolidinone, 1-methyl- · 1-Methylazacyclopentan-2-one
Data sources
Related molecules
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📜 License & provenanceMolGod_License_1
Model
N-methyl-2-pyrrolidone · 872-50-4
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MolGod Scientific
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Source data
PubChem CID 13387 ↗
SHA-256 (STL)
7288656268862b6d8f64e83405390ea8580d4cbfebcc78f4fce519ef2c8fb851
Wikimedia Commons
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