Basic information
- Standard SMILES
CC(=O)CCN(CCC#N)Cc1ccccc1- InChIKey
KWAVBOFEUIPDHA-UHFFFAOYSA-N- Molecular formula
- C14H18N2O
- Average molar mass
- 230.31 g/mol
Names & identifiers
- Preferred name
- N-benzyl-N-(2-cyanoethyl)-4-aminobutan-2-one
- IUPAC
- 3-[benzyl(3-oxobutyl)amino]propanenitrile
Names & synonyms
SCHEMBL10202881KWAVBOFEUIPDHA-UHFFFAOYSA-NN-benzyl-N-(2-cyanoethyl)-4-aminobutan-2-one
Database identifiers
- PubChem CID
- 21453215
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 273
Related reactions
3 records
Compound notes
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