1-but-1-en-2-yl-4-hydroxy-6-methylpyridin-2-one

C10H13NO2 — CID 155599940

IUPAC1-but-1-en-2-yl-4-hydroxy-6-methylpyridin-2-one
SMILESC=C(CC)n1c(C)cc(O)cc1=O
InChIInChI=1S/C10H13NO2/c1-4-7(2)11-8(3)5-9(12)6-10(11)13/h5-6,12H,2,4H2,1,3H3
InChIKeyMJSPVXLVDUQBMA-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.74
Rot. Bonds2

About 1-but-1-en-2-yl-4-hydroxy-6-methylpyridin-2-one

1-but-1-en-2-yl-4-hydroxy-6-methylpyridin-2-one (PubChem CID 155599940) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-but-1-en-2-yl-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-but-1-en-2-yl-4-hydroxy-6-methylpyridin-2-one
PubChem CID155599940
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-but-1-en-2-yl-4-hydroxy-6-methylpyridin-2-one
SMILESC=C(CC)n1c(C)cc(O)cc1=O
InChIInChI=1S/C10H13NO2/c1-4-7(2)11-8(3)5-9(12)6-10(11)13/h5-6,12H,2,4H2,1,3H3
InChIKeyMJSPVXLVDUQBMA-UHFFFAOYSA-N
XLogP1.74
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-but-1-en-2-yl-4-hydroxy-6-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-but-1-en-2-yl-4-hydroxy-6-methylpyridin-2-one (CID 155599940) is 1-but-1-en-2-yl-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-but-1-en-2-yl-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-but-1-en-2-yl-4-hydroxy-6-methylpyridin-2-one is C=C(CC)n1c(C)cc(O)cc1=O.
What is the InChIKey of 1-but-1-en-2-yl-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is MJSPVXLVDUQBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-4-7(2)11-8(3)5-9(12)6-10(11)13/h5-6,12H,2,4H2,1,3H3.
What are the key properties of 1-but-1-en-2-yl-4-hydroxy-6-methylpyridin-2-one?
1-but-1-en-2-yl-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 179.22 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 155599940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).