(4S,9aR)-4-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one

C10H17NO — CID 13115690

IUPAC(4S,9aR)-4-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one
SMILESC[C@H]1CC(=O)C[C@H]2CCCCN21
InChIInChI=1S/C10H17NO/c1-8-6-10(12)7-9-4-2-3-5-11(8)9/h8-9H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyGDQCWCOVKFXWMP-DTWKUNHWSA-N
MW167.25 g/mol
LogP1.59
Rot. Bonds

About (4S,9aR)-4-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one

(4S,9aR)-4-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one (PubChem CID 13115690) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (4S,9aR)-4-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one.

Molecular Properties

Compound Name(4S,9aR)-4-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one
PubChem CID13115690
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(4S,9aR)-4-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one
SMILESC[C@H]1CC(=O)C[C@H]2CCCCN21
InChIInChI=1S/C10H17NO/c1-8-6-10(12)7-9-4-2-3-5-11(8)9/h8-9H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyGDQCWCOVKFXWMP-DTWKUNHWSA-N
XLogP1.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S,9aR)-4-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-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 (4S,9aR)-4-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one?
The IUPAC name of (4S,9aR)-4-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one (CID 13115690) is (4S,9aR)-4-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one.
What is the SMILES notation for (4S,9aR)-4-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one?
The canonical SMILES for (4S,9aR)-4-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one is C[C@H]1CC(=O)C[C@H]2CCCCN21.
What is the InChIKey of (4S,9aR)-4-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one?
The InChIKey is GDQCWCOVKFXWMP-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-6-10(12)7-9-4-2-3-5-11(8)9/h8-9H,2-7H2,1H3/t8-,9+/m0/s1.
What are the key properties of (4S,9aR)-4-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one?
(4S,9aR)-4-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,9aR)-4-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one is sourced from PubChem (CID 13115690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).