(11aR)-1,2,3,10,11,11a-Hexahydro-5H-Pyrrolo[2,1-c][1,4]Benzodiazepin-5,11-Dione
Basic information
- CAS
154802-75-2- Standard SMILES
O=C1Nc2ccccc2C(=O)N2CCC[C@H]12- InChIKey
MXBNEEHQIDLPLQ-SNVBAGLBSA-N- Molecular formula
- C12H12N2O2
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.08987763
Names & identifiers
- Preferred name
- (11aR)-1,2,3,10,11,11a-Hexahydro-5H-Pyrrolo[2,1-c][1,4]Benzodiazepin-5,11-Dione
- IUPAC
- (6aR)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
Names & synonyms
CHEMBL233670SCHEMBL7709727MXBNEEHQIDLPLQ-SNVBAGLBSA-NDTXSID701141985AKOS000773647AKOS015911930(11aR)-1,2,3,10,11,11a-Hexahydro-5H-Pyrrolo[2,1-c][1,4]Benzodiazepin-5,11-Dione154802-75-2SR-01000375344SR-01000375344-1(11aR)-2,3-Dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione
Database identifiers
- CAS
154802-75-2- PubChem CID
- 677115
- DTXSID
DTXSID701141985- ChEMBL
CHEMBL233670
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 329
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Related reactions
1 records
Compound notes
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