Molecular properties
- Formula
- C10H11N
- Molar mass
- 145.20 g·mol−1
- Exact mass
- 145.0891 Da
- 6
- PubChem CID
- 18415311
Molecule record
3-propylbenzonitrile
C10H11N
145.20 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Nitrile
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 151963-09-6
- DB-166001
- SCHEMBL16619152
- SCHEMBL16959461
- SCHEMBL21268434
- SCHEMBL28728197
- SCHEMBL4934435
- SCHEMBL7634582
Structure identifiers
- Canonical SMILES
- CCCc1cccc(C#N)c1
- Isomeric SMILES
- CCCC1=CC(=CC=C1)C#N
- InChI
- InChI=1S/C10H11N/c1-2-4-9-5-3-6-10(7-9)8-11/h3,5-7H,2,4H2,1H3
- InChIKey
- AJBMNDMITCOCOH-UHFFFAOYSA-N
- PubChem CID
- 18415311
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 3-propylbenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-propylbenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.