3-acetyl-1-methylpyridin-2-one

C8H9NO2 — CID 82527252

IUPAC3-acetyl-1-methylpyridin-2-one
SMILESCC(=O)c1cccn(C)c1=O
InChIInChI=1S/C8H9NO2/c1-6(10)7-4-3-5-9(2)8(7)11/h3-5H,1-2H3
InChIKeyHMUJLWOZWBUTPJ-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.59
Rot. Bonds1

About 3-acetyl-1-methylpyridin-2-one

3-acetyl-1-methylpyridin-2-one (PubChem CID 82527252) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 3-acetyl-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-1-methylpyridin-2-one
PubChem CID82527252
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name3-acetyl-1-methylpyridin-2-one
SMILESCC(=O)c1cccn(C)c1=O
InChIInChI=1S/C8H9NO2/c1-6(10)7-4-3-5-9(2)8(7)11/h3-5H,1-2H3
InChIKeyHMUJLWOZWBUTPJ-UHFFFAOYSA-N
XLogP0.59
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-methylpyridin-2-one?
The IUPAC name of 3-acetyl-1-methylpyridin-2-one (CID 82527252) is 3-acetyl-1-methylpyridin-2-one.
What is the SMILES notation for 3-acetyl-1-methylpyridin-2-one?
The canonical SMILES for 3-acetyl-1-methylpyridin-2-one is CC(=O)c1cccn(C)c1=O.
What is the InChIKey of 3-acetyl-1-methylpyridin-2-one?
The InChIKey is HMUJLWOZWBUTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6(10)7-4-3-5-9(2)8(7)11/h3-5H,1-2H3.
What are the key properties of 3-acetyl-1-methylpyridin-2-one?
3-acetyl-1-methylpyridin-2-one has a molecular weight of 151.16 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-methylpyridin-2-one is sourced from PubChem (CID 82527252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).