1-methyl-2,3,4,4a,5,6-hexahydroquinolin-7-one

C10H15NO — CID 82652427

IUPAC1-methyl-2,3,4,4a,5,6-hexahydroquinolin-7-one
SMILESCN1CCCC2CCC(=O)C=C21
InChIInChI=1S/C10H15NO/c1-11-6-2-3-8-4-5-9(12)7-10(8)11/h7-8H,2-6H2,1H3
InChIKeyWTEFUDRNQUXDKV-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.58
Rot. Bonds

About 1-methyl-2,3,4,4a,5,6-hexahydroquinolin-7-one

1-methyl-2,3,4,4a,5,6-hexahydroquinolin-7-one (PubChem CID 82652427) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-methyl-2,3,4,4a,5,6-hexahydroquinolin-7-one.

Molecular Properties

Compound Name1-methyl-2,3,4,4a,5,6-hexahydroquinolin-7-one
PubChem CID82652427
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-methyl-2,3,4,4a,5,6-hexahydroquinolin-7-one
SMILESCN1CCCC2CCC(=O)C=C21
InChIInChI=1S/C10H15NO/c1-11-6-2-3-8-4-5-9(12)7-10(8)11/h7-8H,2-6H2,1H3
InChIKeyWTEFUDRNQUXDKV-UHFFFAOYSA-N
XLogP1.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-2,3,4,4a,5,6-hexahydroquinolin-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 1-methyl-2,3,4,4a,5,6-hexahydroquinolin-7-one?
The IUPAC name of 1-methyl-2,3,4,4a,5,6-hexahydroquinolin-7-one (CID 82652427) is 1-methyl-2,3,4,4a,5,6-hexahydroquinolin-7-one.
What is the SMILES notation for 1-methyl-2,3,4,4a,5,6-hexahydroquinolin-7-one?
The canonical SMILES for 1-methyl-2,3,4,4a,5,6-hexahydroquinolin-7-one is CN1CCCC2CCC(=O)C=C21.
What is the InChIKey of 1-methyl-2,3,4,4a,5,6-hexahydroquinolin-7-one?
The InChIKey is WTEFUDRNQUXDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-11-6-2-3-8-4-5-9(12)7-10(8)11/h7-8H,2-6H2,1H3.
What are the key properties of 1-methyl-2,3,4,4a,5,6-hexahydroquinolin-7-one?
1-methyl-2,3,4,4a,5,6-hexahydroquinolin-7-one has a molecular weight of 165.24 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,4,4a,5,6-hexahydroquinolin-7-one is sourced from PubChem (CID 82652427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).