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
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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC7H9N
Masa molowa107.15 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 — Działa szkodliwie po połknięciu

H332 — Działa szkodliwie w następstwie wdychania

Scientific literature

Related literature

15 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (15 articles)

1938: 1 articles19381963: 1 articles1999: 1 articles2012: 1 articles2013: 1 articles2016: 3 articles20162017: 1 articles2020: 2 articles2022: 2 articles2023: 1 articles2023

Bar height = number of articles per year. Hover dla szczegółów.

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

Data sources
Related molecules
📜 License & provenanceMolGod_License_1
3-Cyclohexene-1-carbonitrile (CAS 100-45-8), C7H9N - 3D ball-and-stick molecular model, engraved element symbols (C H N), MolGod STL previewPobierz obraz

MG-STL-100-45-8-GRAVERED · 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 previewPobierz obraz

MG-STL-100-45-8-NORMAL · 7,072 △ · 345 KB · SHA-256 8f67f52823cc1027

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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 @ 8b6dfdd · generated 2026-09-25
SHA-256 (STL)
8f67f52823cc1027f20514d6fa0e8fbf298be59dba1f2ffc8cdd1954ed89fabc
MD5 (STL)
748b49ddc84dd97188f8e85db984a778
Model identifier
MG-STL-100-45-8
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
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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