3-hydroxy-2-methyl-1-prop-2-enylpyridin-4-one

C9H11NO2 — CID 3012091

IUPAC3-hydroxy-2-methyl-1-prop-2-enylpyridin-4-one
SMILESC=CCn1ccc(=O)c(O)c1C
InChIInChI=1S/C9H11NO2/c1-3-5-10-6-4-8(11)9(12)7(10)2/h3-4,6,12H,1,5H2,2H3
InChIKeyFPIZVOQFIJHWIS-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.05
Rot. Bonds2

About 3-hydroxy-2-methyl-1-prop-2-enylpyridin-4-one

3-hydroxy-2-methyl-1-prop-2-enylpyridin-4-one (PubChem CID 3012091) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-1-prop-2-enylpyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-1-prop-2-enylpyridin-4-one
PubChem CID3012091
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-hydroxy-2-methyl-1-prop-2-enylpyridin-4-one
SMILESC=CCn1ccc(=O)c(O)c1C
InChIInChI=1S/C9H11NO2/c1-3-5-10-6-4-8(11)9(12)7(10)2/h3-4,6,12H,1,5H2,2H3
InChIKeyFPIZVOQFIJHWIS-UHFFFAOYSA-N
XLogP1.05
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-1-prop-2-enylpyridin-4-one?
The IUPAC name of 3-hydroxy-2-methyl-1-prop-2-enylpyridin-4-one (CID 3012091) is 3-hydroxy-2-methyl-1-prop-2-enylpyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-methyl-1-prop-2-enylpyridin-4-one?
The canonical SMILES for 3-hydroxy-2-methyl-1-prop-2-enylpyridin-4-one is C=CCn1ccc(=O)c(O)c1C.
What is the InChIKey of 3-hydroxy-2-methyl-1-prop-2-enylpyridin-4-one?
The InChIKey is FPIZVOQFIJHWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-3-5-10-6-4-8(11)9(12)7(10)2/h3-4,6,12H,1,5H2,2H3.
What are the key properties of 3-hydroxy-2-methyl-1-prop-2-enylpyridin-4-one?
3-hydroxy-2-methyl-1-prop-2-enylpyridin-4-one has a molecular weight of 165.19 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-1-prop-2-enylpyridin-4-one is sourced from PubChem (CID 3012091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).