4-acetyl-1H-pyridin-2-one

C7H7NO2 — CID 21453482

IUPAC4-acetyl-1H-pyridin-2-one
SMILESCC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C7H7NO2/c1-5(9)6-2-3-8-7(10)4-6/h2-4H,1H3,(H,8,10)
InChIKeyXRXOPYHKDDAWCU-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.58
Rot. Bonds1

About 4-acetyl-1H-pyridin-2-one

4-acetyl-1H-pyridin-2-one (PubChem CID 21453482) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 4-acetyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-acetyl-1H-pyridin-2-one
PubChem CID21453482
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name4-acetyl-1H-pyridin-2-one
SMILESCC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C7H7NO2/c1-5(9)6-2-3-8-7(10)4-6/h2-4H,1H3,(H,8,10)
InChIKeyXRXOPYHKDDAWCU-UHFFFAOYSA-N
XLogP0.58
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1H-pyridin-2-one?
The IUPAC name of 4-acetyl-1H-pyridin-2-one (CID 21453482) is 4-acetyl-1H-pyridin-2-one.
What is the SMILES notation for 4-acetyl-1H-pyridin-2-one?
The canonical SMILES for 4-acetyl-1H-pyridin-2-one is CC(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of 4-acetyl-1H-pyridin-2-one?
The InChIKey is XRXOPYHKDDAWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c1-5(9)6-2-3-8-7(10)4-6/h2-4H,1H3,(H,8,10).
What are the key properties of 4-acetyl-1H-pyridin-2-one?
4-acetyl-1H-pyridin-2-one has a molecular weight of 137.14 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1H-pyridin-2-one is sourced from PubChem (CID 21453482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).