Basic information
- Standard SMILES
N#Cc1ccc(C=C2CCNC2=O)cc1- InChIKey
FKWHSEVXBBEGHY-UHFFFAOYSA-N- Molecular formula
- C12H10N2O
- Average molar mass
- 198.22 g/mol
Names & identifiers
- Preferred name
- 3-(4-Cyanobenzylidene)-2-pyrrolidone
- IUPAC
- 4-[(2-oxopyrrolidin-3-ylidene)methyl]benzonitrile
Names & synonyms
SCHEMBL9139342FKWHSEVXBBEGHY-UHFFFAOYSA-N3-(4-cyanobenzylidene)-2-pyrrolidone
Database identifiers
- PubChem CID
- 53804732
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 329
Related reactions
1 records
Compound notes
Loading…