(4aR,10aR)-2,3,4,4a,5,7,8,9,10,10a-Decahydro-1-propylbenzo[g]quinolin-6(1H)-one
Basic information
- CAS
367966-55-0- Standard SMILES
CCCN1CCC[C@@H]2CC3=C(CCCC3=O)C[C@H]21- InChIKey
QLIKRYHBUISCTR-UKRRQHHQSA-N- Molecular formula
- C16H25NO
- Average molar mass
- 247.38 g/mol
- Monoisotopic mass
- 247.19361442
Names & identifiers
- Preferred name
- (4aR,10aR)-2,3,4,4a,5,7,8,9,10,10a-Decahydro-1-propylbenzo[g]quinolin-6(1H)-one
- IUPAC
- (4aR,10aR)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one
Names & synonyms
SCHEMBL230703CHEMBL5879441BDBM453276DTXSID601136779US10729710, Compound (Ia)(4aR,10aR)-2,3,4,4a,5,7,8,9,10,10a-Decahydro-1-propylbenzo[g]quinolin-6(1H)-one367966-55-0(4aR,10aR)-1-Propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6(1H)-one
Database identifiers
- CAS
367966-55-0- PubChem CID
- 9813631
- DTXSID
DTXSID601136779- ChEMBL
CHEMBL5879441- Nikkaji
- J2.480.464J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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