3-(1-hydroxyethenyl)-1H-pyridin-2-one

C7H7NO2 — CID 143709991

IUPAC3-(1-hydroxyethenyl)-1H-pyridin-2-one
SMILESC=C(O)c1ccc[nH]c1=O
InChIInChI=1S/C7H7NO2/c1-5(9)6-3-2-4-8-7(6)10/h2-4,9H,1H2,(H,8,10)
InChIKeyXMOLJHBVFRJRAF-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.90
Rot. Bonds1

About 3-(1-hydroxyethenyl)-1H-pyridin-2-one

3-(1-hydroxyethenyl)-1H-pyridin-2-one (PubChem CID 143709991) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 3-(1-hydroxyethenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(1-hydroxyethenyl)-1H-pyridin-2-one
PubChem CID143709991
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name3-(1-hydroxyethenyl)-1H-pyridin-2-one
SMILESC=C(O)c1ccc[nH]c1=O
InChIInChI=1S/C7H7NO2/c1-5(9)6-3-2-4-8-7(6)10/h2-4,9H,1H2,(H,8,10)
InChIKeyXMOLJHBVFRJRAF-UHFFFAOYSA-N
XLogP0.90
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethenyl)-1H-pyridin-2-one?
The IUPAC name of 3-(1-hydroxyethenyl)-1H-pyridin-2-one (CID 143709991) is 3-(1-hydroxyethenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(1-hydroxyethenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(1-hydroxyethenyl)-1H-pyridin-2-one is C=C(O)c1ccc[nH]c1=O.
What is the InChIKey of 3-(1-hydroxyethenyl)-1H-pyridin-2-one?
The InChIKey is XMOLJHBVFRJRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c1-5(9)6-3-2-4-8-7(6)10/h2-4,9H,1H2,(H,8,10).
What are the key properties of 3-(1-hydroxyethenyl)-1H-pyridin-2-one?
3-(1-hydroxyethenyl)-1H-pyridin-2-one has a molecular weight of 137.14 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethenyl)-1H-pyridin-2-one is sourced from PubChem (CID 143709991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).