1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one

C10H15NO2 — CID 20667467

IUPAC1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one
SMILESCCn1c(C)cc(OC)c(C)c1=O
InChIInChI=1S/C10H15NO2/c1-5-11-7(2)6-9(13-4)8(3)10(11)12/h6H,5H2,1-4H3
InChIKeyWSTWMAGIJRZMQG-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.49
Rot. Bonds2

About 1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one

1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one (PubChem CID 20667467) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one
PubChem CID20667467
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one
SMILESCCn1c(C)cc(OC)c(C)c1=O
InChIInChI=1S/C10H15NO2/c1-5-11-7(2)6-9(13-4)8(3)10(11)12/h6H,5H2,1-4H3
InChIKeyWSTWMAGIJRZMQG-UHFFFAOYSA-N
XLogP1.49
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one?
The IUPAC name of 1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one (CID 20667467) is 1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one.
What is the SMILES notation for 1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one?
The canonical SMILES for 1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one is CCn1c(C)cc(OC)c(C)c1=O.
What is the InChIKey of 1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one?
The InChIKey is WSTWMAGIJRZMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-5-11-7(2)6-9(13-4)8(3)10(11)12/h6H,5H2,1-4H3.
What are the key properties of 1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one?
1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one has a molecular weight of 181.23 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methoxy-3,6-dimethylpyridin-2-one is sourced from PubChem (CID 20667467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).