5-(1-hydroxyethenyl)-1H-pyridin-2-one

C7H7NO2 — CID 89243281

IUPAC5-(1-hydroxyethenyl)-1H-pyridin-2-one
SMILESC=C(O)c1ccc(=O)[nH]c1
InChIInChI=1S/C7H7NO2/c1-5(9)6-2-3-7(10)8-4-6/h2-4,9H,1H2,(H,8,10)
InChIKeyVGXSQKUSAQVJSC-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.90
Rot. Bonds1

About 5-(1-hydroxyethenyl)-1H-pyridin-2-one

5-(1-hydroxyethenyl)-1H-pyridin-2-one (PubChem CID 89243281) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 5-(1-hydroxyethenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1-hydroxyethenyl)-1H-pyridin-2-one
PubChem CID89243281
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name5-(1-hydroxyethenyl)-1H-pyridin-2-one
SMILESC=C(O)c1ccc(=O)[nH]c1
InChIInChI=1S/C7H7NO2/c1-5(9)6-2-3-7(10)8-4-6/h2-4,9H,1H2,(H,8,10)
InChIKeyVGXSQKUSAQVJSC-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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Related Compounds

6-Hydroxynicotinic acid
CID 72924
2-Hydroxyisonicotinic Acid
CID 280756
4-hydroxy-5-methylpyridin-2(1H)-one
CID 54720146
4-(Hydroxymethyl)pyridin-2(1H)-one
CID 11094610
5-Ethenylpyridin-2-ol
CID 44471951
5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-2-one
CID 10607802
3-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one
CID 90191890
8-Hydroxyisoquinolin-3(2H)-one
CID 141428402
5-[(Z)-1-hydroxy-4-(methylamino)but-1-enyl]-1H-pyridin-2-one
CID 178341135
4-Fluoro-5-(hydroxymethyl)-1,2-dihydropyridin-2-one
CID 58047412
2,4-Dihydroxy-5-(trifluoromethyl)pyridine
CID 118704240
5-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one
CID 130094528

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethenyl)-1H-pyridin-2-one?
The IUPAC name of 5-(1-hydroxyethenyl)-1H-pyridin-2-one (CID 89243281) is 5-(1-hydroxyethenyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(1-hydroxyethenyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(1-hydroxyethenyl)-1H-pyridin-2-one is C=C(O)c1ccc(=O)[nH]c1.
What is the InChIKey of 5-(1-hydroxyethenyl)-1H-pyridin-2-one?
The InChIKey is VGXSQKUSAQVJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c1-5(9)6-2-3-7(10)8-4-6/h2-4,9H,1H2,(H,8,10).
What are the key properties of 5-(1-hydroxyethenyl)-1H-pyridin-2-one?
5-(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 5-(1-hydroxyethenyl)-1H-pyridin-2-one is sourced from PubChem (CID 89243281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).