(+/-)-trans-1,2,3,4,4a,5,6,7,8,8a-Decahydro-2-ethyl-4a-(3-methoxyphenyl)-6-isoquinolinone

HCID 10517409

Basic information

Standard SMILES
CCN1CC[C@]2(c3cccc(OC)c3)CC(=O)CC[C@H]2C1
InChIKey
YKLOUKZAIKUCQL-MAUKXSAKSA-N
Molecular formula
C18H25NO2
Average molar mass
287.4 g/mol

Names & identifiers

Preferred name
(+/-)-trans-1,2,3,4,4a,5,6,7,8,8a-Decahydro-2-ethyl-4a-(3-methoxyphenyl)-6-isoquinolinone
IUPAC
(4aS,8aR)-2-ethyl-4a-(3-methoxyphenyl)-3,4,5,7,8,8a-hexahydro-1H-isoquinolin-6-one

Names & synonyms

YKLOUKZAIKUCQL-MAUKXSAKSA-N(+/-)-trans-1,2,3,4,4a,5,6,7,8,8a-decahydro-2-ethyl-4a-(3-methoxyphenyl)-6-isoquinolinone(+/-)-trans-2-ethyl-4a-(3-methoxyphenyl)-6-oxo-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline

Database identifiers

PubChem CID
10517409

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
21

Related reactions

4 records

Linked notes

Loading…