4,5,6-trimethyl-1H-pyridin-2-one

C8H11NO — CID 12589333

IUPAC4,5,6-trimethyl-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]c(C)c1C
InChIInChI=1S/C8H11NO/c1-5-4-8(10)9-7(3)6(5)2/h4H,1-3H3,(H,9,10)
InChIKeyCMSSDZQNILGIDR-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.30
Rot. Bonds

About 4,5,6-trimethyl-1H-pyridin-2-one

4,5,6-trimethyl-1H-pyridin-2-one (PubChem CID 12589333) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 4,5,6-trimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4,5,6-trimethyl-1H-pyridin-2-one
PubChem CID12589333
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name4,5,6-trimethyl-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]c(C)c1C
InChIInChI=1S/C8H11NO/c1-5-4-8(10)9-7(3)6(5)2/h4H,1-3H3,(H,9,10)
InChIKeyCMSSDZQNILGIDR-UHFFFAOYSA-N
XLogP1.30
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,5,6-trimethyl-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 4,5,6-trimethyl-1H-pyridin-2-one?
The IUPAC name of 4,5,6-trimethyl-1H-pyridin-2-one (CID 12589333) is 4,5,6-trimethyl-1H-pyridin-2-one.
What is the SMILES notation for 4,5,6-trimethyl-1H-pyridin-2-one?
The canonical SMILES for 4,5,6-trimethyl-1H-pyridin-2-one is Cc1cc(=O)[nH]c(C)c1C.
What is the InChIKey of 4,5,6-trimethyl-1H-pyridin-2-one?
The InChIKey is CMSSDZQNILGIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-5-4-8(10)9-7(3)6(5)2/h4H,1-3H3,(H,9,10).
What are the key properties of 4,5,6-trimethyl-1H-pyridin-2-one?
4,5,6-trimethyl-1H-pyridin-2-one has a molecular weight of 137.18 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-1H-pyridin-2-one is sourced from PubChem (CID 12589333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).