Basic information
- Standard SMILES
N#Cc1cccc(C=CC(=O)c2ccccc2)c1- InChIKey
LKMOKFNKFOVCBE-UHFFFAOYSA-N- Molecular formula
- C16H11NO
- Average molar mass
- 233.26 g/mol
- Monoisotopic mass
- 233.08406397
Names & identifiers
- Preferred name
- 3-(3-Cyanophenyl)-1-phenyl-2-propen-1-one
- IUPAC
- 3-(3-oxo-3-phenylprop-1-enyl)benzonitrile
Names & synonyms
SCHEMBL9779639LKMOKFNKFOVCBE-UHFFFAOYSA-NAKOS033850413DS-0072213-(3-cyanophenyl)-1-phenyl-2-propen-1-oneBENZONITRILE,3-(3-OXO-3-PHENYL-1-PROPEN-1-YL)-
Database identifiers
- PubChem CID
- 328430
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 357
Related reactions
1 records
Compound notes
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