Basic information
- Standard SMILES
c1cc2c3c(c1)[C@H]1CNCC[C@H]1N3CCC2- InChIKey
CNCZLLXGSLADGW-CHWSQXEVSA-N- Molecular formula
- C14H18N2
- Average molar mass
- 214.31 g/mol
- Monoisotopic mass
- 214.14699858
Names & identifiers
- Preferred name
- (+/-)-cis-5,6,7a,8,9,10,11, 11a-octahydro-4H-pyrido[3',4':4,5]pyrrolo[3,2,1-ij]quinoline
- IUPAC
- (10S,15R)-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene
Names & synonyms
SCHEMBL5417906CNCZLLXGSLADGW-CHWSQXEVSA-N(+/-)-cis-5,6,7a,8,9,10,11, 11a-octahydro-4H-pyrido[3',4':4,5]pyrrolo[3,2,1-ij]quinoline(+/-)-cis-5,6,7a,8,9,10,11,11a-octahydro-4H-pyrido[3',4':4,5]pyrrolo[3,2,1-ij]quinoline(+/-)-cis-5,6,7a,8,9,10,11,11a-octahydro-4H-pyrido[3',4';4,5]pyrrolo[3,2,1-ij]quinoline(7aR,11aS)-5,6,7a,8,9,10,11,11a-octahydro-4H-pyrido[3',4':4,5]pyrrolo[3,2,1-ij]quinoline(7aR,11aS)-5,6,7a,8,9,10,11,11a-octahydro-4H-pyrido[3',4';4,5]pyrrolo[3,2,1-ij]quinoline
Database identifiers
- PubChem CID
- 69433998
- Nikkaji
- J1.862.614D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 278
Related reactions
22 records
Compound notes
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