Molecular properties
- Formula
- C3H3N
- Molar mass
- 53.06 g·mol−1
- Exact mass
- 53.0265 Da
- 3
- 0
- 1
- 23.80 Ų
- 0.2 (PubChem computed XLogP3-AA descriptor)
- CAS
- 107-13-1
- PubChem CID
- 7855
Molecule record
ACRYLONITRILE
C3H3N
53.06 g/mol
Interactions
- Polarity
- Polar functional group with nonpolar contribution from the carbon skeleton.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Alkene
Nitrile
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 0.2 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 107-13-1
- 2-Propenenitrile
- Acritet
- Acrylnitril
- Acrylon
- Acrylonitrile monomer
- Akrylonitril
- Akrylonitryl
Show all 22 synonyms
- Carbacryl
- Cianuro di vinile
- Cyanoethylene
- Cyanure de vinyle
- ENT 54
- Fumigrain
- Miller's fumigrain
- Nitrile acrilico
- Nitrile acrylique
- Prop-2-enenitrile
- Propenenitrile
- Ventox
- Vinyl cyanide
- Vinylkyanid
Structure identifiers
- Canonical SMILES
- C=CC#N
- Isomeric SMILES
- C=CC#N
- InChI
- InChI=1S/C3H3N/c1-2-3-4/h2H,1H2
- InChIKey
- NLHHRLWOUZZQLW-UHFFFAOYSA-N
- PubChem CID
- 7855
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
2250 cm−1C≡N nitrile (simulated)
1645 cm−1C=C alkene (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for ACRYLONITRILE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for ACRYLONITRILE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.