3-hydroxy-2-prop-2-enyl-1H-pyridin-4-one

C8H9NO2 — CID 68619338

IUPAC3-hydroxy-2-prop-2-enyl-1H-pyridin-4-one
SMILESC=CCc1[nH]ccc(=O)c1O
InChIInChI=1S/C8H9NO2/c1-2-3-6-8(11)7(10)4-5-9-6/h2,4-5,11H,1,3H2,(H,9,10)
InChIKeyXCDGYACEMDCGGW-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.81
Rot. Bonds2

About 3-hydroxy-2-prop-2-enyl-1H-pyridin-4-one

3-hydroxy-2-prop-2-enyl-1H-pyridin-4-one (PubChem CID 68619338) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 3-hydroxy-2-prop-2-enyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-prop-2-enyl-1H-pyridin-4-one
PubChem CID68619338
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name3-hydroxy-2-prop-2-enyl-1H-pyridin-4-one
SMILESC=CCc1[nH]ccc(=O)c1O
InChIInChI=1S/C8H9NO2/c1-2-3-6-8(11)7(10)4-5-9-6/h2,4-5,11H,1,3H2,(H,9,10)
InChIKeyXCDGYACEMDCGGW-UHFFFAOYSA-N
XLogP0.81
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-prop-2-enyl-1H-pyridin-4-one?
The IUPAC name of 3-hydroxy-2-prop-2-enyl-1H-pyridin-4-one (CID 68619338) is 3-hydroxy-2-prop-2-enyl-1H-pyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-prop-2-enyl-1H-pyridin-4-one?
The canonical SMILES for 3-hydroxy-2-prop-2-enyl-1H-pyridin-4-one is C=CCc1[nH]ccc(=O)c1O.
What is the InChIKey of 3-hydroxy-2-prop-2-enyl-1H-pyridin-4-one?
The InChIKey is XCDGYACEMDCGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-2-3-6-8(11)7(10)4-5-9-6/h2,4-5,11H,1,3H2,(H,9,10).
What are the key properties of 3-hydroxy-2-prop-2-enyl-1H-pyridin-4-one?
3-hydroxy-2-prop-2-enyl-1H-pyridin-4-one has a molecular weight of 151.16 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-prop-2-enyl-1H-pyridin-4-one is sourced from PubChem (CID 68619338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).