Basic information
- CAS
5237-79-6- Standard SMILES
CC1C=Nc2c(O)cccc2C(=O)N1- InChIKey
WWPHQSQQLPFXLE-UHFFFAOYSA-N- Molecular formula
- C10H10N2O2
- Average molar mass
- 190.2 g/mol
- Monoisotopic mass
- 190.07422757
Names & identifiers
- Preferred name
- 9-Hydroxy-3-methyl-3,4-dihydro-1,4-benzodiazepin-5-one
- IUPAC
- 9-hydroxy-3-methyl-3,4-dihydro-1,4-benzodiazepin-5-one
Names & synonyms
5237-79-69-hydroxy-3-methyl-3,4-dihydro-1,4-benzodiazepin-5-oneDTXSID903193159-Hydroxy-3-methyl-3,4-dihydro-5H-1,4-benzodiazepin-5-one
Database identifiers
- CAS
5237-79-6- PubChem CID
- 335233
- DTXSID
DTXSID90319315
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…