1,2-dimethyl-5,6,7,8-tetrahydroquinolin-4-one

C11H15NO — CID 14732810

IUPAC1,2-dimethyl-5,6,7,8-tetrahydroquinolin-4-one
SMILESCc1cc(=O)c2c(n1C)CCCC2
InChIInChI=1S/C11H15NO/c1-8-7-11(13)9-5-3-4-6-10(9)12(8)2/h7H,3-6H2,1-2H3
InChIKeyVOOLJMNAUDBGMA-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.57
Rot. Bonds

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

1,2-dimethyl-5,6,7,8-tetrahydroquinolin-4-one (PubChem CID 14732810) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1,2-dimethyl-5,6,7,8-tetrahydroquinolin-4-one.

Molecular Properties

Compound Name1,2-dimethyl-5,6,7,8-tetrahydroquinolin-4-one
PubChem CID14732810
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1,2-dimethyl-5,6,7,8-tetrahydroquinolin-4-one
SMILESCc1cc(=O)c2c(n1C)CCCC2
InChIInChI=1S/C11H15NO/c1-8-7-11(13)9-5-3-4-6-10(9)12(8)2/h7H,3-6H2,1-2H3
InChIKeyVOOLJMNAUDBGMA-UHFFFAOYSA-N
XLogP1.57
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2-dimethyl-5,6,7,8-tetrahydroquinolin-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 1,2-dimethyl-5,6,7,8-tetrahydroquinolin-4-one?
The IUPAC name of 1,2-dimethyl-5,6,7,8-tetrahydroquinolin-4-one (CID 14732810) is 1,2-dimethyl-5,6,7,8-tetrahydroquinolin-4-one.
What is the SMILES notation for 1,2-dimethyl-5,6,7,8-tetrahydroquinolin-4-one?
The canonical SMILES for 1,2-dimethyl-5,6,7,8-tetrahydroquinolin-4-one is Cc1cc(=O)c2c(n1C)CCCC2.
What is the InChIKey of 1,2-dimethyl-5,6,7,8-tetrahydroquinolin-4-one?
The InChIKey is VOOLJMNAUDBGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-7-11(13)9-5-3-4-6-10(9)12(8)2/h7H,3-6H2,1-2H3.
What are the key properties of 1,2-dimethyl-5,6,7,8-tetrahydroquinolin-4-one?
1,2-dimethyl-5,6,7,8-tetrahydroquinolin-4-one has a molecular weight of 177.25 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5,6,7,8-tetrahydroquinolin-4-one is sourced from PubChem (CID 14732810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).