Molecular properties
- Formula
- C7H9NO
- Molar mass
- 123.15 g·mol−1
- Exact mass
- 123.0684 Da
- 4
- PubChem CID
- 220297
Molecule record
2-oxocyclohexane-1-carbonitrile
C7H9NO
123.15 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Ketone
Nitrile
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 2-CYANOCYCLOHEXANONE
- 2-oxo-cyclohexane-1-carbonitrile
- 2-oxo-cyclohexanecarbonitrile
- 2-oxocyclohexanecarbonitrile
- 4513-77-3
- 674-351-9
- CS-0054141
- Cyclohexanecarbonitrile, 2-oxo-
Show all 24 synonyms
- DTXCID30228715
- DTXSID40277557
- EN300-70694
- FT-0635339
- MFCD00154839
- NSC-2841
- NSC2841
- PS-5999
- RefChem:477783
- SCHEMBL1623070
- SCHEMBL17238828
- SCHEMBL28279781
- W17330
- Z1137167009
- a-Cyanocyclohexanone
- alpha-Cyanocyclohexanone
Structure identifiers
- Canonical SMILES
- N#CC1CCCCC1=O
- Isomeric SMILES
- C1CCC(=O)C(C1)C#N
- InChI
- InChI=1S/C7H9NO/c8-5-6-3-1-2-4-7(6)9/h6H,1-4H2
- InChIKey
- RWMVCOUKVCLWIC-UHFFFAOYSA-N
- PubChem CID
- 220297
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 2-oxocyclohexane-1-carbonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-oxocyclohexane-1-carbonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.