3-ethyl-4-methoxy-1-methylpyridin-2-one

C9H13NO2 — CID 167006179

IUPAC3-ethyl-4-methoxy-1-methylpyridin-2-one
SMILESCCc1c(OC)ccn(C)c1=O
InChIInChI=1S/C9H13NO2/c1-4-7-8(12-3)5-6-10(2)9(7)11/h5-6H,4H2,1-3H3
InChIKeyYMVDUYMLNUFTNA-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.96
Rot. Bonds2

About 3-ethyl-4-methoxy-1-methylpyridin-2-one

3-ethyl-4-methoxy-1-methylpyridin-2-one (PubChem CID 167006179) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-ethyl-4-methoxy-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-ethyl-4-methoxy-1-methylpyridin-2-one
PubChem CID167006179
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-ethyl-4-methoxy-1-methylpyridin-2-one
SMILESCCc1c(OC)ccn(C)c1=O
InChIInChI=1S/C9H13NO2/c1-4-7-8(12-3)5-6-10(2)9(7)11/h5-6H,4H2,1-3H3
InChIKeyYMVDUYMLNUFTNA-UHFFFAOYSA-N
XLogP0.96
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methoxy-1-methylpyridin-2-one?
The IUPAC name of 3-ethyl-4-methoxy-1-methylpyridin-2-one (CID 167006179) is 3-ethyl-4-methoxy-1-methylpyridin-2-one.
What is the SMILES notation for 3-ethyl-4-methoxy-1-methylpyridin-2-one?
The canonical SMILES for 3-ethyl-4-methoxy-1-methylpyridin-2-one is CCc1c(OC)ccn(C)c1=O.
What is the InChIKey of 3-ethyl-4-methoxy-1-methylpyridin-2-one?
The InChIKey is YMVDUYMLNUFTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-4-7-8(12-3)5-6-10(2)9(7)11/h5-6H,4H2,1-3H3.
What are the key properties of 3-ethyl-4-methoxy-1-methylpyridin-2-one?
3-ethyl-4-methoxy-1-methylpyridin-2-one has a molecular weight of 167.21 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methoxy-1-methylpyridin-2-one is sourced from PubChem (CID 167006179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).