Molecular properties
- Formula
- C7H9NO
- Molar mass
- 123.16 g·mol−1
- Exact mass
- 123.0684 Da
- 4
- PubChem CID
- 12235639
Molecule record
4-oxocyclohexane-1-carbonitrile
C7H9NO
123.16 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
- 34916-10-4
- 4-Oxo-cyclohexanecarbonitrile
- 4-cyano-cyclohexanone
- 4-cyanocyclohexanone
- 4-oxo-1-cyclohexanecarbonitrile
- 4-oxocyclohexanecarbonitrile
- 838-680-3
- AKOS005145509
Show all 21 synonyms
- CS-D0281
- Cyclohexanecarbonitrile, 4-oxo-
- DS-14152
- DTXSID30481722
- EN300-130790
- F079621
- MFCD11847831
- QIWQ
- QIWQJGMBIABGRX-UHFFFAOYSA-N
- RefChem:526205
- SB14026
- SCHEMBL628776
- SY008433
Structure identifiers
- Canonical SMILES
- N#CC1CCC(=O)CC1
- Isomeric SMILES
- C1CC(=O)CCC1C#N
- InChI
- InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h6H,1-4H2
- InChIKey
- QIWQJGMBIABGRX-UHFFFAOYSA-N
- PubChem CID
- 12235639
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 4-oxocyclohexane-1-carbonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-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.