Basic information
- CAS
89647-50-7- Standard SMILES
CC1CC(=O)Nc2ccccc2N1C(N)=O- InChIKey
YLXBLSJWOYVREI-UHFFFAOYSA-N- Molecular formula
- C11H13N3O2
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.10077667
Names & identifiers
- Preferred name
- 4-Hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboximidic acid
- IUPAC
- 4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
Names & synonyms
89647-50-7DTXSID4010089104-Hydroxy-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine-1-carboximidic acidRefChem:1070747DTXCID7014357402,3,4,5-Tetrahydro-2-methyl-4-oxo-1H-1,5-benzodiazepine-1-carboxamide4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamideBRN 05274141H-1,5-BENZODIAZEPINE-1-CARBOXAMIDE, 2,3,4,5-TETRAHYDRO-2-METHYL-4-OXO-Oprea1_0713065-24-02-00517 (Beilstein Handbook Reference)AKOS001757022
Show more names
ST50983376SR-01000533877SR-01000533877-12-methyl-4-oxo-2H,3H,5H-benzo[b]1,4-diazepinecarboxamide
Database identifiers
- CAS
89647-50-7- PubChem CID
- 55992
- DTXSID
DTXSID401008910
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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