2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one

C10H17NO — CID 580070

IUPAC2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
SMILESCC1CC(=O)C2CCCCC2N1
InChIInChI=1S/C10H17NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h7-9,11H,2-6H2,1H3
InChIKeySEAPKWHFVCCJBB-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.50
Rot. Bonds

About 2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one

2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one (PubChem CID 580070) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
PubChem CID580070
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
SMILESCC1CC(=O)C2CCCCC2N1
InChIInChI=1S/C10H17NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h7-9,11H,2-6H2,1H3
InChIKeySEAPKWHFVCCJBB-UHFFFAOYSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-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 2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one?
The IUPAC name of 2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one (CID 580070) is 2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one.
What is the SMILES notation for 2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one?
The canonical SMILES for 2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one is CC1CC(=O)C2CCCCC2N1.
What is the InChIKey of 2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one?
The InChIKey is SEAPKWHFVCCJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h7-9,11H,2-6H2,1H3.
What are the key properties of 2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one?
2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one has a molecular weight of 167.25 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one is sourced from PubChem (CID 580070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).