5-hydroxy-6-methyl-3-prop-2-enyl-3H-pyridin-4-one

C9H11NO2 — CID 67830666

IUPAC5-hydroxy-6-methyl-3-prop-2-enyl-3H-pyridin-4-one
SMILESC=CCC1C=NC(C)=C(O)C1=O
InChIInChI=1S/C9H11NO2/c1-3-4-7-5-10-6(2)8(11)9(7)12/h3,5,7,11H,1,4H2,2H3
InChIKeyGYHXZEZUAIOSHY-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.62
Rot. Bonds2

About 5-hydroxy-6-methyl-3-prop-2-enyl-3H-pyridin-4-one

5-hydroxy-6-methyl-3-prop-2-enyl-3H-pyridin-4-one (PubChem CID 67830666) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 5-hydroxy-6-methyl-3-prop-2-enyl-3H-pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-6-methyl-3-prop-2-enyl-3H-pyridin-4-one
PubChem CID67830666
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name5-hydroxy-6-methyl-3-prop-2-enyl-3H-pyridin-4-one
SMILESC=CCC1C=NC(C)=C(O)C1=O
InChIInChI=1S/C9H11NO2/c1-3-4-7-5-10-6(2)8(11)9(7)12/h3,5,7,11H,1,4H2,2H3
InChIKeyGYHXZEZUAIOSHY-UHFFFAOYSA-N
XLogP1.62
TPSA49.66 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 ≤ 51.62
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 5-hydroxy-6-methyl-3-prop-2-enyl-3H-pyridin-4-one?
The IUPAC name of 5-hydroxy-6-methyl-3-prop-2-enyl-3H-pyridin-4-one (CID 67830666) is 5-hydroxy-6-methyl-3-prop-2-enyl-3H-pyridin-4-one.
What is the SMILES notation for 5-hydroxy-6-methyl-3-prop-2-enyl-3H-pyridin-4-one?
The canonical SMILES for 5-hydroxy-6-methyl-3-prop-2-enyl-3H-pyridin-4-one is C=CCC1C=NC(C)=C(O)C1=O.
What is the InChIKey of 5-hydroxy-6-methyl-3-prop-2-enyl-3H-pyridin-4-one?
The InChIKey is GYHXZEZUAIOSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-3-4-7-5-10-6(2)8(11)9(7)12/h3,5,7,11H,1,4H2,2H3.
What are the key properties of 5-hydroxy-6-methyl-3-prop-2-enyl-3H-pyridin-4-one?
5-hydroxy-6-methyl-3-prop-2-enyl-3H-pyridin-4-one has a molecular weight of 165.19 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-methyl-3-prop-2-enyl-3H-pyridin-4-one is sourced from PubChem (CID 67830666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).