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Basic information
- CAS
82635-61-8- Standard SMILES
Cc1ccc2c(c1O)NC(=O)C1CCCN1C2=O- InChIKey
HPSJDMJHCXGHRW-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.10044231
Names & identifiers
- Preferred name
- 4-hydroxy-3-methyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
- IUPAC
- 4-hydroxy-3-methyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
Names & synonyms
82635-61-8NSC2874094-hydroxy-3-methyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dioneSCHEMBL11466194DTXSID80314677HPSJDMJHCXGHRW-UHFFFAOYSA-NNSC-2874092,3,5,10,11,11a-hexahydro-9-hydroxy-8-methyl-1H-pyrrolo(2,1-C)(1,4)benzodiazepin-5,11-dione2,3,5,10,11,11a-hexahydro-9-hydroxy-8-methyl-1H-pyrrolo[2,1-C] [1,4]benzodiazepin-5,11-dione9-Hydroxy-8-methyl-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11ah)-dione
Database identifiers
- CAS
82635-61-8- PubChem CID
- 323932
- DTXSID
DTXSID80314677
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 384
Related reactions
2 records
Compound notes
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