Basic information
- CAS
82635-57-2- Standard SMILES
Cc1ccc2c(=O)n3cccc3c(=O)[nH]c2c1O- InChIKey
VXZYDRAOOHTXCN-UHFFFAOYSA-N- Molecular formula
- C13H10N2O3
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.06914219
Names & identifiers
- Preferred name
- 4-hydroxy-3-methyl-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
- IUPAC
- 4-hydroxy-3-methyl-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
Names & synonyms
82635-57-2NSC2874084-hydroxy-3-methyl-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dioneDTXSID20314676NSC-2874089-Hydroxy-8-methyl-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione
Database identifiers
- CAS
82635-57-2- PubChem CID
- 323931
- DTXSID
DTXSID20314676
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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