Basic information
- CAS
3889-01-8- Standard SMILES
CC1NCCc2c[nH]c3c(Cl)ccc1c23- InChIKey
OERWUSKCIJQIES-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2
- Average molar mass
- 220.7 g/mol
- Monoisotopic mass
- 220.0767261
Names & identifiers
- Preferred name
- 9-Chloro-6-methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indole
- IUPAC
- 5-chloro-9-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
- English name
- 3,4,5,6-Tetrahydro-9-chloro-6-methyl-1H-azepino[5,4,3-cd]indole
- Molecular formula
- C12H13ClN2
- Molecular weight
- 0
Names & synonyms
3889-01-89-Chloro-6-methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indoleBRN 41372359-Chloro-6-methyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indoleDTXSID909596593,4,5,6-Tetrahydro-9-chloro-6-methyl-1H-azepino[5,4,3-cd]indole1H-AZEPINO(5,4,3-cd)INDOLE, 3,4,5,6-TETRAHYDRO-9-CHLORO-6-METHYL-
Database identifiers
- CAS
3889-01-8- PubChem CID
- 19769
- DTXSID
DTXSID90959659- Nikkaji
- J84.652J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 27.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…