4-(2-methylpropoxy)-1H-pyridin-2-one

C9H13NO2 — CID 59665143

IUPAC4-(2-methylpropoxy)-1H-pyridin-2-one
SMILESCC(C)COc1cc[nH]c(=O)c1
InChIInChI=1S/C9H13NO2/c1-7(2)6-12-8-3-4-10-9(11)5-8/h3-5,7H,6H2,1-2H3,(H,10,11)
InChIKeyDGQAWJJHJXPRBB-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.41
Rot. Bonds3

About 4-(2-methylpropoxy)-1H-pyridin-2-one

4-(2-methylpropoxy)-1H-pyridin-2-one (PubChem CID 59665143) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2-methylpropoxy)-1H-pyridin-2-one
PubChem CID59665143
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-(2-methylpropoxy)-1H-pyridin-2-one
SMILESCC(C)COc1cc[nH]c(=O)c1
InChIInChI=1S/C9H13NO2/c1-7(2)6-12-8-3-4-10-9(11)5-8/h3-5,7H,6H2,1-2H3,(H,10,11)
InChIKeyDGQAWJJHJXPRBB-UHFFFAOYSA-N
XLogP1.41
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-methylpropoxy)-1H-pyridin-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 4-(2-methylpropoxy)-1H-pyridin-2-one?
The IUPAC name of 4-(2-methylpropoxy)-1H-pyridin-2-one (CID 59665143) is 4-(2-methylpropoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-(2-methylpropoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-(2-methylpropoxy)-1H-pyridin-2-one is CC(C)COc1cc[nH]c(=O)c1.
What is the InChIKey of 4-(2-methylpropoxy)-1H-pyridin-2-one?
The InChIKey is DGQAWJJHJXPRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7(2)6-12-8-3-4-10-9(11)5-8/h3-5,7H,6H2,1-2H3,(H,10,11).
What are the key properties of 4-(2-methylpropoxy)-1H-pyridin-2-one?
4-(2-methylpropoxy)-1H-pyridin-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-1H-pyridin-2-one is sourced from PubChem (CID 59665143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).