4-Acetyl-1-methylpyridin-2(1H)-one

C8H9NO2 — CID 14092599

IUPAC4-acetyl-1-methylpyridin-2-one
SMILESCC(=O)C1=CC(=O)N(C=C1)C
InChIInChI=1S/C8H9NO2/c1-6(10)7-3-4-9(2)8(11)5-7/h3-5H,1-2H3
InChIKeyQFQLAWSUSPMLDI-UHFFFAOYSA-N
MW151.16 g/mol
LogP-0.20
Rot. Bonds1

About 4-Acetyl-1-methylpyridin-2(1H)-one

4-Acetyl-1-methylpyridin-2(1H)-one (PubChem CID 14092599) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 4-acetyl-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-Acetyl-1-methylpyridin-2(1H)-one
PubChem CID14092599
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name4-acetyl-1-methylpyridin-2-one
SMILESCC(=O)C1=CC(=O)N(C=C1)C
InChIInChI=1S/C8H9NO2/c1-6(10)7-3-4-9(2)8(11)5-7/h3-5H,1-2H3
InChIKeyQFQLAWSUSPMLDI-UHFFFAOYSA-N
XLogP-0.20
TPSA37.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity263

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-Methyl-4(1H)-pyridinylidene)ethylidene]-2,5-cyclohexadien-1-one
CID 258436
4-Acetyl-1,2-dihydropyridin-2-one
CID 21453482
6-Dimethylamino-3-methyl-3,5-hexadien-2-one
CID 59767448
Isoquinoline, 2,6-dihydro-2-methyl-6-oxo-
CID 23422120
N-methyl-2H-3-isoquinolone
CID 12435498
2,6-Dimethylisoquinolin-3-one
CID 12435501
5-Ethyl-1-propylpyridin-2-one
CID 13169254
Ethanone, 1-(1,2-dihydro-1-methyl-3-pyridinyl)-(9CI)
CID 13522961
1-Vinyl-5-methyl-2-pyridone
CID 14323033
5-Acetyl-1-methylpyridin-2(1H)-one
CID 14665251
N-butyl-3-acetyl-2-pyridone
CID 82526873
5-Propionylpyridin-2(1H)-one
CID 89672899

Frequently Asked Questions

What is the IUPAC name of 4-Acetyl-1-methylpyridin-2(1H)-one?
The IUPAC name of 4-Acetyl-1-methylpyridin-2(1H)-one (CID 14092599) is 4-acetyl-1-methylpyridin-2-one.
What is the SMILES notation for 4-Acetyl-1-methylpyridin-2(1H)-one?
The canonical SMILES for 4-Acetyl-1-methylpyridin-2(1H)-one is CC(=O)C1=CC(=O)N(C=C1)C.
What is the InChIKey of 4-Acetyl-1-methylpyridin-2(1H)-one?
The InChIKey is QFQLAWSUSPMLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6(10)7-3-4-9(2)8(11)5-7/h3-5H,1-2H3.
What are the key properties of 4-Acetyl-1-methylpyridin-2(1H)-one?
4-Acetyl-1-methylpyridin-2(1H)-one has a molecular weight of 151.16 g/mol, XLogP of -0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Acetyl-1-methylpyridin-2(1H)-one is sourced from PubChem (CID 14092599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).