5-hydroxy-6-methyl-3-(2-methylpropyl)-3H-pyridin-4-one

C10H15NO2 — CID 67830786

IUPAC5-hydroxy-6-methyl-3-(2-methylpropyl)-3H-pyridin-4-one
SMILESCC1=C(O)C(=O)C(CC(C)C)C=N1
InChIInChI=1S/C10H15NO2/c1-6(2)4-8-5-11-7(3)9(12)10(8)13/h5-6,8,12H,4H2,1-3H3
InChIKeyKLWYIGMLANHZKY-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.09
Rot. Bonds2

About 5-hydroxy-6-methyl-3-(2-methylpropyl)-3H-pyridin-4-one

5-hydroxy-6-methyl-3-(2-methylpropyl)-3H-pyridin-4-one (PubChem CID 67830786) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 5-hydroxy-6-methyl-3-(2-methylpropyl)-3H-pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-6-methyl-3-(2-methylpropyl)-3H-pyridin-4-one
PubChem CID67830786
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name5-hydroxy-6-methyl-3-(2-methylpropyl)-3H-pyridin-4-one
SMILESCC1=C(O)C(=O)C(CC(C)C)C=N1
InChIInChI=1S/C10H15NO2/c1-6(2)4-8-5-11-7(3)9(12)10(8)13/h5-6,8,12H,4H2,1-3H3
InChIKeyKLWYIGMLANHZKY-UHFFFAOYSA-N
XLogP2.09
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-methyl-3-(2-methylpropyl)-3H-pyridin-4-one?
The IUPAC name of 5-hydroxy-6-methyl-3-(2-methylpropyl)-3H-pyridin-4-one (CID 67830786) is 5-hydroxy-6-methyl-3-(2-methylpropyl)-3H-pyridin-4-one.
What is the SMILES notation for 5-hydroxy-6-methyl-3-(2-methylpropyl)-3H-pyridin-4-one?
The canonical SMILES for 5-hydroxy-6-methyl-3-(2-methylpropyl)-3H-pyridin-4-one is CC1=C(O)C(=O)C(CC(C)C)C=N1.
What is the InChIKey of 5-hydroxy-6-methyl-3-(2-methylpropyl)-3H-pyridin-4-one?
The InChIKey is KLWYIGMLANHZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-6(2)4-8-5-11-7(3)9(12)10(8)13/h5-6,8,12H,4H2,1-3H3.
What are the key properties of 5-hydroxy-6-methyl-3-(2-methylpropyl)-3H-pyridin-4-one?
5-hydroxy-6-methyl-3-(2-methylpropyl)-3H-pyridin-4-one has a molecular weight of 181.23 g/mol, XLogP of 2.09, 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-(2-methylpropyl)-3H-pyridin-4-one is sourced from PubChem (CID 67830786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).