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

C8H11NO2 — CID 13011399

IUPAC3-methoxy-1,2-dimethylpyridin-4-one
SMILESCOc1c(C)n(C)ccc1=O
InChIInChI=1S/C8H11NO2/c1-6-8(11-3)7(10)4-5-9(6)2/h4-5H,1-3H3
InChIKeyRUHDPEYOMXHWPM-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.70
Rot. Bonds1

About 3-methoxy-1,2-dimethylpyridin-4-one

3-methoxy-1,2-dimethylpyridin-4-one (PubChem CID 13011399) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-methoxy-1,2-dimethylpyridin-4-one.

Molecular Properties

Compound Name3-methoxy-1,2-dimethylpyridin-4-one
PubChem CID13011399
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-methoxy-1,2-dimethylpyridin-4-one
SMILESCOc1c(C)n(C)ccc1=O
InChIInChI=1S/C8H11NO2/c1-6-8(11-3)7(10)4-5-9(6)2/h4-5H,1-3H3
InChIKeyRUHDPEYOMXHWPM-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 3-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

Related Compounds

Deferiprone
CID 2972
1-Ethyl-3-hydroxy-2-methyl-4-pyridinone
CID 94413
2-Ethyl-3-hydroxy-1-methyl-4(1H)-pyridinone
CID 86320
3-Methoxy-2-methyl-1H-pyridin-4-one
CID 323424
1-(2-Hydroxyethyl)-3-methoxy-2-methylpyridin-4(1H)-one
CID 336938
Deferiprone-d3
CID 119057248
3-Methoxy-1-methylpyridin-4-one
CID 21018864
1-Methyl-4-[2-(3-methoxy-4-oxocyclohexadienyliden)ethyliden]-1,4-dihydropyridin
CID 73008959
2-Dimethylamino-5-methoxybenzoquinone
CID 129709996
3-Methoxy-1-methyl-2-(trifluoromethyl)pyridin-4-one
CID 69084126
3-Fluoro-5-methoxy-1,2-dimethylpyridin-4-one
CID 69084805
5-Fluoro-3-methoxy-1,2-dimethyl-4(1H)-pyridinone
CID 89163946

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1,2-dimethylpyridin-4-one?
The IUPAC name of 3-methoxy-1,2-dimethylpyridin-4-one (CID 13011399) is 3-methoxy-1,2-dimethylpyridin-4-one.
What is the SMILES notation for 3-methoxy-1,2-dimethylpyridin-4-one?
The canonical SMILES for 3-methoxy-1,2-dimethylpyridin-4-one is COc1c(C)n(C)ccc1=O.
What is the InChIKey of 3-methoxy-1,2-dimethylpyridin-4-one?
The InChIKey is RUHDPEYOMXHWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6-8(11-3)7(10)4-5-9(6)2/h4-5H,1-3H3.
What are the key properties of 3-methoxy-1,2-dimethylpyridin-4-one?
3-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 3-methoxy-1,2-dimethylpyridin-4-one is sourced from PubChem (CID 13011399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).