Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 4,5,6,7-tetrahydro-
Basic information
- CAS
27158-85-6- Standard SMILES
c1cc2c3c(c1)ccn3CCCN2- InChIKey
JTIUNDJPUKNFER-UHFFFAOYSA-N- Molecular formula
- C11H12N2
- Average molar mass
- 172.23 g/mol
- Monoisotopic mass
- 172.10004839
Names & identifiers
- Preferred name
- Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 4,5,6,7-tetrahydro-
- IUPAC
- 1,9-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene
- English name
- 1,2,3,4-Tetrahydropyrrolo[1,2,3-ef]-1,5-benzodiazepine
- Molecular formula
- C11H12N2
- Molecular weight
- 172.23
Names & synonyms
BRN 0957992Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 4,5,6,7-tetrahydro-27158-85-64,5,6,7-Tetrahydropyrrolo(1,2,3-ef)(1,5)benzodiazepineDTXSID601816275-23-07-00326 (Beilstein Handbook Reference)RefChem:378179DTXCID001041181,2,3,4-tetrahydro[1,4]diazepino[3,2,1-hi]indole1,2,3,4-Tetrahydropyrrolo[1,2,3-ef]-1,5-benzodiazepinePyrrolo[1,2,3-ef]-1,5-benzodiazepine, 1,2,3,4-tetrahydro-
Database identifiers
- CAS
27158-85-6- PubChem CID
- 213866
- DTXSID
DTXSID60181627- Nikkaji
- J72.918C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 17 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
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Compound notes
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