Basic information
- CAS
111008-23-2- Standard SMILES
CC(=O)C=C1CC(=O)Nc2ccccc2N1- InChIKey
RCYMCAMDQNXWCC-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.08987763
Names & identifiers
- Preferred name
- 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-(2-oxopropylidene)-
- IUPAC
- 2-(2-oxopropylidene)-1,5-dihydro-1,5-benzodiazepin-4-one
Names & synonyms
111008-23-22H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-(2-oxopropylidene)-DTXSID10326864NCI60_0058132-acetonylidene-1,5-dihydro-1,5-benzodiazepin-4-one4-(2-oxopropylidene)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Database identifiers
- CAS
111008-23-2- PubChem CID
- 359147
- DTXSID
DTXSID10326864
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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