1,4-dimethyl-3,4,5,6,7,8-hexahydroquinolin-2-one

C11H17NO — CID 10856064

IUPAC1,4-dimethyl-3,4,5,6,7,8-hexahydroquinolin-2-one
SMILESCC1CC(=O)N(C)C2=C1CCCC2
InChIInChI=1S/C11H17NO/c1-8-7-11(13)12(2)10-6-4-3-5-9(8)10/h8H,3-7H2,1-2H3
InChIKeyILHGMJUYSMPNAH-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.31
Rot. Bonds

About 1,4-dimethyl-3,4,5,6,7,8-hexahydroquinolin-2-one

1,4-dimethyl-3,4,5,6,7,8-hexahydroquinolin-2-one (PubChem CID 10856064) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1,4-dimethyl-3,4,5,6,7,8-hexahydroquinolin-2-one.

Molecular Properties

Compound Name1,4-dimethyl-3,4,5,6,7,8-hexahydroquinolin-2-one
PubChem CID10856064
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1,4-dimethyl-3,4,5,6,7,8-hexahydroquinolin-2-one
SMILESCC1CC(=O)N(C)C2=C1CCCC2
InChIInChI=1S/C11H17NO/c1-8-7-11(13)12(2)10-6-4-3-5-9(8)10/h8H,3-7H2,1-2H3
InChIKeyILHGMJUYSMPNAH-UHFFFAOYSA-N
XLogP2.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,4-dimethyl-3,4,5,6,7,8-hexahydroquinolin-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 1,4-dimethyl-3,4,5,6,7,8-hexahydroquinolin-2-one?
The IUPAC name of 1,4-dimethyl-3,4,5,6,7,8-hexahydroquinolin-2-one (CID 10856064) is 1,4-dimethyl-3,4,5,6,7,8-hexahydroquinolin-2-one.
What is the SMILES notation for 1,4-dimethyl-3,4,5,6,7,8-hexahydroquinolin-2-one?
The canonical SMILES for 1,4-dimethyl-3,4,5,6,7,8-hexahydroquinolin-2-one is CC1CC(=O)N(C)C2=C1CCCC2.
What is the InChIKey of 1,4-dimethyl-3,4,5,6,7,8-hexahydroquinolin-2-one?
The InChIKey is ILHGMJUYSMPNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-7-11(13)12(2)10-6-4-3-5-9(8)10/h8H,3-7H2,1-2H3.
What are the key properties of 1,4-dimethyl-3,4,5,6,7,8-hexahydroquinolin-2-one?
1,4-dimethyl-3,4,5,6,7,8-hexahydroquinolin-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3,4,5,6,7,8-hexahydroquinolin-2-one is sourced from PubChem (CID 10856064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).