1-(ethoxymethyl)-3-methylpyridin-2-one

C9H13NO2 — CID 116621434

IUPAC1-(ethoxymethyl)-3-methylpyridin-2-one
SMILESCCOCn1cccc(C)c1=O
InChIInChI=1S/C9H13NO2/c1-3-12-7-10-6-4-5-8(2)9(10)11/h4-6H,3,7H2,1-2H3
InChIKeyWXENZWCXCVMKDR-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.15
Rot. Bonds3

About 1-(ethoxymethyl)-3-methylpyridin-2-one

1-(ethoxymethyl)-3-methylpyridin-2-one (PubChem CID 116621434) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(ethoxymethyl)-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-(ethoxymethyl)-3-methylpyridin-2-one
PubChem CID116621434
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-(ethoxymethyl)-3-methylpyridin-2-one
SMILESCCOCn1cccc(C)c1=O
InChIInChI=1S/C9H13NO2/c1-3-12-7-10-6-4-5-8(2)9(10)11/h4-6H,3,7H2,1-2H3
InChIKeyWXENZWCXCVMKDR-UHFFFAOYSA-N
XLogP1.15
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-3-methylpyridin-2-one?
The IUPAC name of 1-(ethoxymethyl)-3-methylpyridin-2-one (CID 116621434) is 1-(ethoxymethyl)-3-methylpyridin-2-one.
What is the SMILES notation for 1-(ethoxymethyl)-3-methylpyridin-2-one?
The canonical SMILES for 1-(ethoxymethyl)-3-methylpyridin-2-one is CCOCn1cccc(C)c1=O.
What is the InChIKey of 1-(ethoxymethyl)-3-methylpyridin-2-one?
The InChIKey is WXENZWCXCVMKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-12-7-10-6-4-5-8(2)9(10)11/h4-6H,3,7H2,1-2H3.
What are the key properties of 1-(ethoxymethyl)-3-methylpyridin-2-one?
1-(ethoxymethyl)-3-methylpyridin-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-3-methylpyridin-2-one is sourced from PubChem (CID 116621434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).