1-(2-hydroxyprop-2-enyl)pyridin-4-one

C8H9NO2 — CID 70002274

IUPAC1-(2-hydroxyprop-2-enyl)pyridin-4-one
SMILESC=C(O)Cn1ccc(=O)cc1
InChIInChI=1S/C8H9NO2/c1-7(10)6-9-4-2-8(11)3-5-9/h2-5,10H,1,6H2
InChIKeyPSIKFMDVUWEQCL-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.92
Rot. Bonds2

About 1-(2-hydroxyprop-2-enyl)pyridin-4-one

1-(2-hydroxyprop-2-enyl)pyridin-4-one (PubChem CID 70002274) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 1-(2-hydroxyprop-2-enyl)pyridin-4-one.

Molecular Properties

Compound Name1-(2-hydroxyprop-2-enyl)pyridin-4-one
PubChem CID70002274
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name1-(2-hydroxyprop-2-enyl)pyridin-4-one
SMILESC=C(O)Cn1ccc(=O)cc1
InChIInChI=1S/C8H9NO2/c1-7(10)6-9-4-2-8(11)3-5-9/h2-5,10H,1,6H2
InChIKeyPSIKFMDVUWEQCL-UHFFFAOYSA-N
XLogP0.92
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Fluoroprop-2-enyl)pyridin-4-one
CID 57078588
1-(Prop-2-en-1-yl)pyridin-4(1H)-one
CID 21854353
1-(2-Hydroxyethyl)-1,4-dihydro-4-pyridone
CID 22624935
CID 59090937
CID 59090937
3-Hydroxy-1-prop-2-enylpyridin-4-one
CID 66668281
1-[(E)-but-2-enyl]pyridin-4-one
CID 116622322

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyprop-2-enyl)pyridin-4-one?
The IUPAC name of 1-(2-hydroxyprop-2-enyl)pyridin-4-one (CID 70002274) is 1-(2-hydroxyprop-2-enyl)pyridin-4-one.
What is the SMILES notation for 1-(2-hydroxyprop-2-enyl)pyridin-4-one?
The canonical SMILES for 1-(2-hydroxyprop-2-enyl)pyridin-4-one is C=C(O)Cn1ccc(=O)cc1.
What is the InChIKey of 1-(2-hydroxyprop-2-enyl)pyridin-4-one?
The InChIKey is PSIKFMDVUWEQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-7(10)6-9-4-2-8(11)3-5-9/h2-5,10H,1,6H2.
What are the key properties of 1-(2-hydroxyprop-2-enyl)pyridin-4-one?
1-(2-hydroxyprop-2-enyl)pyridin-4-one has a molecular weight of 151.16 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyprop-2-enyl)pyridin-4-one is sourced from PubChem (CID 70002274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).