Basic information
- Standard SMILES
Cc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2- InChIKey
AKTKTTKRMSNSKX-NSHDSACASA-N- Molecular formula
- C13H14N2O2
- Average molar mass
- 230.26 g/mol
Names & identifiers
- Preferred name
- (S)-7-methyl-1,2,3,11a-tetrahydro-5H-pyrrolo(2,1-c)(1,4)benzodiazepine-5,11(10H)-dione
- IUPAC
- (6aS)-2-methyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
Names & synonyms
SCHEMBL10629903AKTKTTKRMSNSKX-NSHDSACASA-N(S)-7-methyl-1,2,3,11a-tetrahydro-5H-pyrrolo(2,1-c)(1,4)benzodiazepine-5,11(10H)-dione(S)-7-methyl-1,2,3,11a-tetrahydro-5H-pyrrolo (2,1-c) (1,4) benzodiazepine-5,11(10H)-dione
Database identifiers
- PubChem CID
- 10198508
- Nikkaji
- J842.931F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 355
Related reactions
3 records
Compound notes
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