3-Cyclohexene-1-carbonitrile

CAS 100-45-8  ·  C7H9N  ·  MW 107.15 g/mol

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3D model 3-Cyclohexene-1-carbonitrile, CAS 100-45-8, molecular formula C7H9N, molar mass 107.15 g/mol

Model views

  • 3-Cyclohexene-1-carbonitrile (CAS 100-45-8) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 3-Cyclohexene-1-carbonitrile (CAS 100-45-8) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • 3-Cyclohexene-1-carbonitrile (CAS 100-45-8) – space-filling 3D model, MolGod Viewer
    space-filling 3D model
  • 3-Cyclohexene-1-carbonitrile (CAS 100-45-8) – 2D structure, MolGod Viewer
    2D structure

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About 3-Cyclohexene-1-carbonitrile

3-Cyclohexene-1-carbonitrile is a chemical compound registered under number CAS 100-45-8, with the molecular formula C7H9N, and a molar mass of 107.15 g/mol.

The molecule contains 17 atoms connected by 17 chemical bonds. The full systematic IUPAC name of this compound is cyclohex-3-ene-1-carbonitrile. 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 = 1.5 (positive value, a lipophilic compound), polar surface area PSA = 23.8 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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC7H9N
Molar mass107.15 g/mol
IUPACcyclohex-3-ene-1-carbonitrile
SMILESC1CC(CC=C1)C#N
InChIKeyGYBNBQFUPDFFQX-UHFFFAOYSA-N
logP (XLogP3)1.5
PSA23.8 Ų
HBD / HBA0 / 1
PubChem CIDCID 66013 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Harmful if swallowed

H332 — Harmful if inhaled

Scientific literature

Brak articles naukowych dla CAS 100-45-8 w PubMed / OpenAlex / Semantic Scholar.

Data sources
Related molecules
This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.23447250) · NIH 3D (3DPX-023769) · Wikimedia Commons
Included in datasets: OSF project index
Source structure: PubChem (CID 66013)
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
3-Cyclohexene-1-carbonitrile (CAS 100-45-8), C7H9N - 3D ball-and-stick molecular model, engraved element symbols (C H N), MolGod STL previewDownload image

MG_727-372-064-77 · engraved · 199,288 △ · 10 MB · SHA-256 28414317ac2e5e20

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3-Cyclohexene-1-carbonitrile (CAS 100-45-8), C7H9N - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG_727-372-064-77 · normal · 7,360 △ · 359 KB · SHA-256 8998282916bcca25

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Model
3-Cyclohexene-1-carbonitrile · 100-45-8
InChIKey
GYBNBQFUPDFFQX-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 3-Cyclohexene-1-carbonitrile (CAS 100-45-8)
License & provenance record
3-Cyclohexene-1-carbonitrile (CAS 100-45-8) →
MolGod molecule record
3-Cyclohexene-1-carbonitrile →
Source data
PubChem CID 66013 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
8998282916bcca25c93b77814755c18dc039947065e99cffeb7550305c573ab1
MD5 (STL)
df5b6b4d2d9e919e9e0e72c915301b98
MolGod Identification Number
MG_727-372-064-77
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
STL · PNG

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

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