(1S,3bS,12aS)-1-hydroxy-12a-methyl-1,2,3,3a,3b,4,5,8,9,12-decahydroindeno[5,4-f]quinolizin-7-one

C17H23NO2 — CID 52947845

IUPAC(1S,3bS,12aS)-1-hydroxy-12a-methyl-1,2,3,3a,3b,4,5,8,9,12-decahydroindeno[5,4-f]quinolizin-7-one
SMILESC[C@]12CC=C3[C@@H](CCC4=CC(=O)CCN43)C1CC[C@@H]2O
InChIInChI=1S/C17H23NO2/c1-17-8-6-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)7-9-18(11)15/h6,10,13-14,16,20H,2-5,7-9H2,1H3/t13-,14?,16-,17-/m0/s1
InChIKeyYDDJZOQHQXRIOZ-PEDUJENPSA-N
MW273.38 g/mol
LogP2.62
Rot. Bonds

About (1S,3bS,12aS)-1-hydroxy-12a-methyl-1,2,3,3a,3b,4,5,8,9,12-decahydroindeno[5,4-f]quinolizin-7-one

(1S,3bS,12aS)-1-hydroxy-12a-methyl-1,2,3,3a,3b,4,5,8,9,12-decahydroindeno[5,4-f]quinolizin-7-one (PubChem CID 52947845) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (1S,3bS,12aS)-1-hydroxy-12a-methyl-1,2,3,3a,3b,4,5,8,9,12-decahydroindeno[5,4-f]quinolizin-7-one.

Molecular Properties

Compound Name(1S,3bS,12aS)-1-hydroxy-12a-methyl-1,2,3,3a,3b,4,5,8,9,12-decahydroindeno[5,4-f]quinolizin-7-one
PubChem CID52947845
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(1S,3bS,12aS)-1-hydroxy-12a-methyl-1,2,3,3a,3b,4,5,8,9,12-decahydroindeno[5,4-f]quinolizin-7-one
SMILESC[C@]12CC=C3[C@@H](CCC4=CC(=O)CCN43)C1CC[C@@H]2O
InChIInChI=1S/C17H23NO2/c1-17-8-6-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)7-9-18(11)15/h6,10,13-14,16,20H,2-5,7-9H2,1H3/t13-,14?,16-,17-/m0/s1
InChIKeyYDDJZOQHQXRIOZ-PEDUJENPSA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,3bS,12aS)-1-hydroxy-12a-methyl-1,2,3,3a,3b,4,5,8,9,12-decahydroindeno[5,4-f]quinolizin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,3bS,12aS)-1-hydroxy-12a-methyl-1,2,3,3a,3b,4,5,8,9,12-decahydroindeno[5,4-f]quinolizin-7-one?
The IUPAC name of (1S,3bS,12aS)-1-hydroxy-12a-methyl-1,2,3,3a,3b,4,5,8,9,12-decahydroindeno[5,4-f]quinolizin-7-one (CID 52947845) is (1S,3bS,12aS)-1-hydroxy-12a-methyl-1,2,3,3a,3b,4,5,8,9,12-decahydroindeno[5,4-f]quinolizin-7-one.
What is the SMILES notation for (1S,3bS,12aS)-1-hydroxy-12a-methyl-1,2,3,3a,3b,4,5,8,9,12-decahydroindeno[5,4-f]quinolizin-7-one?
The canonical SMILES for (1S,3bS,12aS)-1-hydroxy-12a-methyl-1,2,3,3a,3b,4,5,8,9,12-decahydroindeno[5,4-f]quinolizin-7-one is C[C@]12CC=C3[C@@H](CCC4=CC(=O)CCN43)C1CC[C@@H]2O.
What is the InChIKey of (1S,3bS,12aS)-1-hydroxy-12a-methyl-1,2,3,3a,3b,4,5,8,9,12-decahydroindeno[5,4-f]quinolizin-7-one?
The InChIKey is YDDJZOQHQXRIOZ-PEDUJENPSA-N. The full InChI is InChI=1S/C17H23NO2/c1-17-8-6-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)7-9-18(11)15/h6,10,13-14,16,20H,2-5,7-9H2,1H3/t13-,14?,16-,17-/m0/s1.
What are the key properties of (1S,3bS,12aS)-1-hydroxy-12a-methyl-1,2,3,3a,3b,4,5,8,9,12-decahydroindeno[5,4-f]quinolizin-7-one?
(1S,3bS,12aS)-1-hydroxy-12a-methyl-1,2,3,3a,3b,4,5,8,9,12-decahydroindeno[5,4-f]quinolizin-7-one has a molecular weight of 273.38 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3bS,12aS)-1-hydroxy-12a-methyl-1,2,3,3a,3b,4,5,8,9,12-decahydroindeno[5,4-f]quinolizin-7-one is sourced from PubChem (CID 52947845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).