4-methyl-6-propan-2-yl-1H-pyridin-2-one

C9H13NO — CID 642660

IUPAC4-methyl-6-propan-2-yl-1H-pyridin-2-one
SMILESCc1cc(C(C)C)[nH]c(=O)c1
InChIInChI=1S/C9H13NO/c1-6(2)8-4-7(3)5-9(11)10-8/h4-6H,1-3H3,(H,10,11)
InChIKeyDJDFJASMOVFERV-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.81
Rot. Bonds1

About 4-methyl-6-propan-2-yl-1H-pyridin-2-one

4-methyl-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 642660) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-methyl-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-6-propan-2-yl-1H-pyridin-2-one
PubChem CID642660
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-methyl-6-propan-2-yl-1H-pyridin-2-one
SMILESCc1cc(C(C)C)[nH]c(=O)c1
InChIInChI=1S/C9H13NO/c1-6(2)8-4-7(3)5-9(11)10-8/h4-6H,1-3H3,(H,10,11)
InChIKeyDJDFJASMOVFERV-UHFFFAOYSA-N
XLogP1.81
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-methyl-6-propan-2-yl-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-methyl-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 4-methyl-6-propan-2-yl-1H-pyridin-2-one (CID 642660) is 4-methyl-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-6-propan-2-yl-1H-pyridin-2-one is Cc1cc(C(C)C)[nH]c(=O)c1.
What is the InChIKey of 4-methyl-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is DJDFJASMOVFERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6(2)8-4-7(3)5-9(11)10-8/h4-6H,1-3H3,(H,10,11).
What are the key properties of 4-methyl-6-propan-2-yl-1H-pyridin-2-one?
4-methyl-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 642660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).