Basic information
- Standard SMILES
CN(C)C=C1CC(=O)Nc2cc(Cl)ccc2C1=O- InChIKey
NAMXZEZCNUIYCF-UHFFFAOYSA-N- Molecular formula
- C13H13ClN2O2
- Average molar mass
- 264.71 g/mol
Names & identifiers
- Preferred name
- 8-chloro-4-dimethylaminomethylene-3,4-dihydro-1H-benzo[b]azepine-2,5-dione
- IUPAC
- 8-chloro-4-(dimethylaminomethylidene)-1H-1-benzazepine-2,5-dione
Names & synonyms
SCHEMBL1185543NAMXZEZCNUIYCF-UHFFFAOYSA-N8-chloro-4-dimethylaminomethylene-3,4-dihydro-1H-benzo[b]azepine-2,5-dione8-chloro-4-((dimethylamino)methylene)-3,4-dihydro-1H-benzo[b]azepine-2,5-dione8-chloro-4-dimethylaminomethylene-3,4-dihydro-1H-benzo[b]-azepine-2,5-dione
Database identifiers
- PubChem CID
- 66934877
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 392
Related reactions
46 records
Compound notes
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