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

C10H17NO — CID 134942263

IUPAC(8R,9aR)-8-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one
SMILESC[C@@H]1CCN2CCC(=O)C[C@H]2C1
InChIInChI=1S/C10H17NO/c1-8-2-4-11-5-3-10(12)7-9(11)6-8/h8-9H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyYBFAKHIDRMWUME-RKDXNWHRSA-N
MW167.25 g/mol
LogP1.45
Rot. Bonds

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

(8R,9aR)-8-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one (PubChem CID 134942263) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (8R,9aR)-8-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one.

Molecular Properties

Compound Name(8R,9aR)-8-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one
PubChem CID134942263
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(8R,9aR)-8-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one
SMILESC[C@@H]1CCN2CCC(=O)C[C@H]2C1
InChIInChI=1S/C10H17NO/c1-8-2-4-11-5-3-10(12)7-9(11)6-8/h8-9H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyYBFAKHIDRMWUME-RKDXNWHRSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (8R,9aR)-8-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 (8R,9aR)-8-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one?
The IUPAC name of (8R,9aR)-8-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one (CID 134942263) is (8R,9aR)-8-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one.
What is the SMILES notation for (8R,9aR)-8-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one?
The canonical SMILES for (8R,9aR)-8-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one is C[C@@H]1CCN2CCC(=O)C[C@H]2C1.
What is the InChIKey of (8R,9aR)-8-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one?
The InChIKey is YBFAKHIDRMWUME-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-2-4-11-5-3-10(12)7-9(11)6-8/h8-9H,2-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of (8R,9aR)-8-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one?
(8R,9aR)-8-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9aR)-8-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one is sourced from PubChem (CID 134942263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).