1-ethenylpyridin-2-one

C7H7NO — CID 577669

IUPAC1-ethenylpyridin-2-one
SMILESC=Cn1ccccc1=O
InChIInChI=1S/C7H7NO/c1-2-8-6-4-3-5-7(8)9/h2-6H,1H2
InChIKeyNFPLJTNXOKFJRO-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.95
Rot. Bonds1

About 1-ethenylpyridin-2-one

1-ethenylpyridin-2-one (PubChem CID 577669) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is 1-ethenylpyridin-2-one.

Molecular Properties

Compound Name1-ethenylpyridin-2-one
PubChem CID577669
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name1-ethenylpyridin-2-one
SMILESC=Cn1ccccc1=O
InChIInChI=1S/C7H7NO/c1-2-8-6-4-3-5-7(8)9/h2-6H,1H2
InChIKeyNFPLJTNXOKFJRO-UHFFFAOYSA-N
XLogP0.95
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylpyridin-2-one?
The IUPAC name of 1-ethenylpyridin-2-one (CID 577669) is 1-ethenylpyridin-2-one.
What is the SMILES notation for 1-ethenylpyridin-2-one?
The canonical SMILES for 1-ethenylpyridin-2-one is C=Cn1ccccc1=O.
What is the InChIKey of 1-ethenylpyridin-2-one?
The InChIKey is NFPLJTNXOKFJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c1-2-8-6-4-3-5-7(8)9/h2-6H,1H2.
What are the key properties of 1-ethenylpyridin-2-one?
1-ethenylpyridin-2-one has a molecular weight of 121.14 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyridin-2-one is sourced from PubChem (CID 577669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).