4H-Pyrrolo(1,2-a)(1,4)benzodiazepine, 5,6-dihydro-
Basic information
- CAS
39243-92-0- Standard SMILES
c1ccc2c(c1)CNCc1cccn1-2- InChIKey
DGNYJUFFMJDSPY-UHFFFAOYSA-N- Molecular formula
- C12H12N2
- Average molar mass
- 184.24 g/mol
- Monoisotopic mass
- 184.10004839
Names & identifiers
- Preferred name
- 4H-Pyrrolo(1,2-a)(1,4)benzodiazepine, 5,6-dihydro-
- IUPAC
- 5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
Names & synonyms
39243-92-05,6-dihydro-4h-pyrrolo[1,2-a][1,4]benzodiazepine5,6-Dihydro-4H-pyrrolo(1,2-a)(1,4)benzodiazepine4H-Pyrrolo(1,2-a)(1,4)benzodiazepine, 5,6-dihydro-4,5-Diidro-6H-pirrolo(1,2-a)(1,4)benzodiazepina [Italian]DTXSID101925014,5-Diidro-6H-pirrolo(1,2-a)(1,4)benzodiazepinaRefChem:297872DTXCID801149925,6-Dihydro-4H-benzo[f]pyrrolo[1,2-a][1,4]diazepineSCHEMBL3458513
Database identifiers
- CAS
39243-92-0- PubChem CID
- 217679
- DTXSID
DTXSID10192501
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 17 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 204
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Related reactions
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Compound notes
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