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

C8H9NO2 — CID 14665251

IUPAC5-acetyl-1-methylpyridin-2-one
SMILESCC(=O)C1=CN(C(=O)C=C1)C
InChIInChI=1S/C8H9NO2/c1-6(10)7-3-4-8(11)9(2)5-7/h3-5H,1-2H3
InChIKeyDCBLNROLRJPFLT-UHFFFAOYSA-N
MW151.16 g/mol
LogP-0.20
Rot. Bonds1

About 5-Acetyl-1-methylpyridin-2(1H)-one

5-Acetyl-1-methylpyridin-2(1H)-one (PubChem CID 14665251) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 5-acetyl-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-Acetyl-1-methylpyridin-2(1H)-one
PubChem CID14665251
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name5-acetyl-1-methylpyridin-2-one
SMILESCC(=O)C1=CN(C(=O)C=C1)C
InChIInChI=1S/C8H9NO2/c1-6(10)7-3-4-8(11)9(2)5-7/h3-5H,1-2H3
InChIKeyDCBLNROLRJPFLT-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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Frequently Asked Questions

What is the IUPAC name of 5-Acetyl-1-methylpyridin-2(1H)-one?
The IUPAC name of 5-Acetyl-1-methylpyridin-2(1H)-one (CID 14665251) is 5-acetyl-1-methylpyridin-2-one.
What is the SMILES notation for 5-Acetyl-1-methylpyridin-2(1H)-one?
The canonical SMILES for 5-Acetyl-1-methylpyridin-2(1H)-one is CC(=O)C1=CN(C(=O)C=C1)C.
What is the InChIKey of 5-Acetyl-1-methylpyridin-2(1H)-one?
The InChIKey is DCBLNROLRJPFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6(10)7-3-4-8(11)9(2)5-7/h3-5H,1-2H3.
What are the key properties of 5-Acetyl-1-methylpyridin-2(1H)-one?
5-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 5-Acetyl-1-methylpyridin-2(1H)-one is sourced from PubChem (CID 14665251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).