9-Hydroxy-4-(prop-2-en-1-yl)-3,4-dihydro-5H-1,4-benzodiazepin-5-one
Basic information
- CAS
94295-80-4- Standard SMILES
C=CCN1CC=Nc2c(O)cccc2C1=O- InChIKey
WJVQEAWVMALXHH-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.08987763
Names & identifiers
- Preferred name
- 9-Hydroxy-4-(prop-2-en-1-yl)-3,4-dihydro-5H-1,4-benzodiazepin-5-one
- IUPAC
- 9-hydroxy-4-prop-2-enyl-3H-1,4-benzodiazepin-5-one
Names & synonyms
94295-80-4NSC343678CHEMBL339432DTXSID503193119-Hydroxy-4-(prop-2-en-1-yl)-3,4-dihydro-5H-1,4-benzodiazepin-5-oneNSC-343678
Database identifiers
- CAS
94295-80-4- PubChem CID
- 335222
- DTXSID
DTXSID50319311- ChEMBL
CHEMBL339432
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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