Basic information
- CAS
104310-01-2- Standard SMILES
O=CN1CCC(=O)Nc2ccccc21- InChIKey
SCMUIHFWOAOWEK-UHFFFAOYSA-N- Molecular formula
- C10H10N2O2
- Average molar mass
- 190.2 g/mol
- Monoisotopic mass
- 190.07422757
Names & identifiers
- Preferred name
- 1H-1,5-Benzodiazepine-1-carboxaldehyde, 2,3,4,5-tetrahydro-4-oxo-
- IUPAC
- 2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carbaldehyde
Names & synonyms
BRN 44323901H-1,5-BENZODIAZEPINE-1-CARBOXALDEHYDE, 2,3,4,5-TETRAHYDRO-4-OXO-104310-01-25-Formyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-oneDTXSID701463832,3,4,5-Tetrahydro-4-oxo-1H-1,5-benzodiazepine-1-carboxaldehydeRefChem:237181DTXCID40688744-oxo-2,3,4,5-tetrahydro-1h-1,5-benzodiazepine-1-carbaldehyde
Database identifiers
- CAS
104310-01-2- PubChem CID
- 59832
- DTXSID
DTXSID70146383- Nikkaji
- J721.037J
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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