2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-5-(1-oxo-3-phenyl-2-propenyl)-
Basic information
- CAS
144400-95-3- Standard SMILES
CC1CC(=O)Nc2ccccc2N1C(=O)/C=C/c1ccccc1- InChIKey
PMCZQOFYTOBCHT-VAWYXSNFSA-N- Molecular formula
- C19H18N2O2
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.13682782
Names & identifiers
- Preferred name
- 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-5-(1-oxo-3-phenyl-2-propenyl)-
- IUPAC
- 4-methyl-5-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Names & synonyms
144400-95-32H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-5-(1-oxo-3-phenyl-2-propenyl)-RefChem:10651541,3,4,5-Tetrahydro-5-(1-oxo-3-phenyl-2-propenyl)-2H-1,5-benzodiazepin-2-one4-methyl-5-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-oneAKOS001551065AKOS016037746
Database identifiers
- CAS
144400-95-3- PubChem CID
- 6448639
- Nikkaji
- J1.478.850F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 468
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Related reactions
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Compound notes
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