5-methoxy-1,2-dimethylpyridin-4-one

C8H11NO2 — CID 5314149

IUPAC5-methoxy-1,2-dimethylpyridin-4-one
SMILESCOc1cn(C)c(C)cc1=O
InChIInChI=1S/C8H11NO2/c1-6-4-7(10)8(11-3)5-9(6)2/h4-5H,1-3H3
InChIKeyYRWQFUMHJVQNBR-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.70
Rot. Bonds1

About 5-methoxy-1,2-dimethylpyridin-4-one

5-methoxy-1,2-dimethylpyridin-4-one (PubChem CID 5314149) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 5-methoxy-1,2-dimethylpyridin-4-one.

Molecular Properties

Compound Name5-methoxy-1,2-dimethylpyridin-4-one
PubChem CID5314149
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name5-methoxy-1,2-dimethylpyridin-4-one
SMILESCOc1cn(C)c(C)cc1=O
InChIInChI=1S/C8H11NO2/c1-6-4-7(10)8(11-3)5-9(6)2/h4-5H,1-3H3
InChIKeyYRWQFUMHJVQNBR-UHFFFAOYSA-N
XLogP0.70
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-1,2-dimethylpyridin-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 5-methoxy-1,2-dimethylpyridin-4-one?
The IUPAC name of 5-methoxy-1,2-dimethylpyridin-4-one (CID 5314149) is 5-methoxy-1,2-dimethylpyridin-4-one.
What is the SMILES notation for 5-methoxy-1,2-dimethylpyridin-4-one?
The canonical SMILES for 5-methoxy-1,2-dimethylpyridin-4-one is COc1cn(C)c(C)cc1=O.
What is the InChIKey of 5-methoxy-1,2-dimethylpyridin-4-one?
The InChIKey is YRWQFUMHJVQNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6-4-7(10)8(11-3)5-9(6)2/h4-5H,1-3H3.
What are the key properties of 5-methoxy-1,2-dimethylpyridin-4-one?
5-methoxy-1,2-dimethylpyridin-4-one has a molecular weight of 153.18 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,2-dimethylpyridin-4-one is sourced from PubChem (CID 5314149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).