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

C11H17NO — CID 18963373

IUPAC1,2-dimethyl-2,3,4,6,7,8-hexahydroquinolin-5-one
SMILESCC1CCC2=C(CCCC2=O)N1C
InChIInChI=1S/C11H17NO/c1-8-6-7-9-10(12(8)2)4-3-5-11(9)13/h8H,3-7H2,1-2H3
InChIKeyYWDWJJANTXQKTH-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.11
Rot. Bonds

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

1,2-dimethyl-2,3,4,6,7,8-hexahydroquinolin-5-one (PubChem CID 18963373) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1,2-dimethyl-2,3,4,6,7,8-hexahydroquinolin-5-one.

Molecular Properties

Compound Name1,2-dimethyl-2,3,4,6,7,8-hexahydroquinolin-5-one
PubChem CID18963373
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1,2-dimethyl-2,3,4,6,7,8-hexahydroquinolin-5-one
SMILESCC1CCC2=C(CCCC2=O)N1C
InChIInChI=1S/C11H17NO/c1-8-6-7-9-10(12(8)2)4-3-5-11(9)13/h8H,3-7H2,1-2H3
InChIKeyYWDWJJANTXQKTH-UHFFFAOYSA-N
XLogP2.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2-dimethyl-2,3,4,6,7,8-hexahydroquinolin-5-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-2,3,4,6,7,8-hexahydroquinolin-5-one?
The IUPAC name of 1,2-dimethyl-2,3,4,6,7,8-hexahydroquinolin-5-one (CID 18963373) is 1,2-dimethyl-2,3,4,6,7,8-hexahydroquinolin-5-one.
What is the SMILES notation for 1,2-dimethyl-2,3,4,6,7,8-hexahydroquinolin-5-one?
The canonical SMILES for 1,2-dimethyl-2,3,4,6,7,8-hexahydroquinolin-5-one is CC1CCC2=C(CCCC2=O)N1C.
What is the InChIKey of 1,2-dimethyl-2,3,4,6,7,8-hexahydroquinolin-5-one?
The InChIKey is YWDWJJANTXQKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-6-7-9-10(12(8)2)4-3-5-11(9)13/h8H,3-7H2,1-2H3.
What are the key properties of 1,2-dimethyl-2,3,4,6,7,8-hexahydroquinolin-5-one?
1,2-dimethyl-2,3,4,6,7,8-hexahydroquinolin-5-one has a molecular weight of 179.26 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2,3,4,6,7,8-hexahydroquinolin-5-one is sourced from PubChem (CID 18963373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).