2-methyl-5-nitroso-6a,7,8,9,10,12-hexahydro-6H-pyrido[2,1-c][1,4]benzodiazepine
Basic information
- CAS
4927-69-9- Standard SMILES
Cc1ccc2c(c1)CN1CCCCC1CN2N=O- InChIKey
HMLZSXHNBNJKGS-UHFFFAOYSA-N- Molecular formula
- C14H19N3O
- Average molar mass
- 245.32 g/mol
- Monoisotopic mass
- 245.15281224
Names & identifiers
- Preferred name
- 2-methyl-5-nitroso-6a,7,8,9,10,12-hexahydro-6H-pyrido[2,1-c][1,4]benzodiazepine
- IUPAC
- 2-methyl-5-nitroso-6a,7,8,9,10,12-hexahydro-6H-pyrido[2,1-c][1,4]benzodiazepine
Names & synonyms
2-methyl-5-nitroso-6a,7,8,9,10,12-hexahydro-6H-pyrido[2,1-c][1,4]benzodiazepine4927-69-94HT82X36ZTDTXSID902746922-methyl-5-nitroso-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepine5,6,6a,7,8,9,10,12-Octahydro-2-methyl-5-nitrosopyrido[2,1-c][1,4]benzodiazepine8-Methyl-11-nitroso-1,2,3,11,12,12a-hexahydro-4H,6H-pyrido[2,1-c][1,4]benzodiazepinePYRIDO(2,1-C)(1,4)BENZODIAZEPINE, 5,6,6A,7,8,9,10,12-OCTAHYDRO-2-METHYL-5-NITROSO-
Database identifiers
- CAS
4927-69-9- PubChem CID
- 21042
- DTXSID
DTXSID90274692- UNII
- 4HT82X36ZT
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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