Basic information
- CAS
88763-07-9- Standard SMILES
CCCN1CCC[C@H]2[C@@H](c3ccccc3)c3ccccc3[C@H]21- InChIKey
RMFDPFVJWNFOJK-PCCBWWKXSA-N- Molecular formula
- C21H25N
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.1986998
Names & identifiers
- Preferred name
- 1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-phenyl-1-propyl-, (4a-alpha,5-beta,9b-alpha)-
- IUPAC
- (4aS,5S,9bS)-5-phenyl-1-propyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
Names & synonyms
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-phenyl-1-propyl-, (4a-alpha,5-beta,9b-alpha)-88763-07-9RefChem:1058146BRN 5753630CHEMBL137713
Database identifiers
- CAS
88763-07-9- PubChem CID
- 55848
- ChEMBL
CHEMBL137713
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…