4-methoxy-1,3,5-trimethylpyridin-2-one

C9H13NO2 — CID 123400251

IUPAC4-methoxy-1,3,5-trimethylpyridin-2-one
SMILESCOc1c(C)cn(C)c(=O)c1C
InChIInChI=1S/C9H13NO2/c1-6-5-10(3)9(11)7(2)8(6)12-4/h5H,1-4H3
InChIKeyRFRPHIMTOSGAEX-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.01
Rot. Bonds1

About 4-methoxy-1,3,5-trimethylpyridin-2-one

4-methoxy-1,3,5-trimethylpyridin-2-one (PubChem CID 123400251) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-methoxy-1,3,5-trimethylpyridin-2-one.

Molecular Properties

Compound Name4-methoxy-1,3,5-trimethylpyridin-2-one
PubChem CID123400251
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-methoxy-1,3,5-trimethylpyridin-2-one
SMILESCOc1c(C)cn(C)c(=O)c1C
InChIInChI=1S/C9H13NO2/c1-6-5-10(3)9(11)7(2)8(6)12-4/h5H,1-4H3
InChIKeyRFRPHIMTOSGAEX-UHFFFAOYSA-N
XLogP1.01
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3,5-dimethyl-1H-pyridin-2-one
CID 68895931
6,7-Dimethoxy-2-methylisoquinolin-3-one
CID 21541250
3-Fluoro-5-(1-methoxyethenyl)-1-methylpyridin-2-one
CID 167395828
7-Methoxy-2-methylisoquinolin-3-one
CID 12435502
2-hydroxy-4-methoxy-5-methylpyridin-N-oxid
CID 129670481
3-(difluoromethyl)-4-methoxy-5-methyl-1H-pyridin-2-one
CID 130083129
5-(difluoromethyl)-4-methoxy-3-methyl-1H-pyridin-2-one
CID 130083152
4-Methoxy-1,5-dimethylpyridin-2-one
CID 15144257
5,7-Dimethylfuro[3,2-c]pyridin-6-one
CID 59284003
2,5,7-Trimethylfuro[3,2-c]pyridin-6-one
CID 59284042
2,4,6-Trimethylfuro[2,3-c]pyridin-5-one
CID 59284183
3,5,7-Trimethylfuro[3,2-c]pyridin-6-one
CID 59284266

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,3,5-trimethylpyridin-2-one?
The IUPAC name of 4-methoxy-1,3,5-trimethylpyridin-2-one (CID 123400251) is 4-methoxy-1,3,5-trimethylpyridin-2-one.
What is the SMILES notation for 4-methoxy-1,3,5-trimethylpyridin-2-one?
The canonical SMILES for 4-methoxy-1,3,5-trimethylpyridin-2-one is COc1c(C)cn(C)c(=O)c1C.
What is the InChIKey of 4-methoxy-1,3,5-trimethylpyridin-2-one?
The InChIKey is RFRPHIMTOSGAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6-5-10(3)9(11)7(2)8(6)12-4/h5H,1-4H3.
What are the key properties of 4-methoxy-1,3,5-trimethylpyridin-2-one?
4-methoxy-1,3,5-trimethylpyridin-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,3,5-trimethylpyridin-2-one is sourced from PubChem (CID 123400251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).