2-Benzoyl-3-butylaminocrotononitrile
Basic information
- Standard SMILES
CCCCN/C(C)=C(\C#N)C(=O)c1ccccc1- InChIKey
MCNPTXLNZDGEGM-WYMLVPIESA-N- Molecular formula
- C15H18N2O
- Average molar mass
- 242.32 g/mol
Names & identifiers
- Preferred name
- 2-Benzoyl-3-butylaminocrotononitrile
- IUPAC
- (E)-2-benzoyl-3-(butylamino)but-2-enenitrile
Names & synonyms
SCHEMBL11160821MCNPTXLNZDGEGM-WYMLVPIESA-N2-Benzoyl-3-butylaminocrotononitrile
Database identifiers
- PubChem CID
- 70528043
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 356
Related reactions
2 records
Compound notes
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