3-hydroxy-6-(2-methylbutan-2-yl)-1H-pyridin-2-one

C10H15NO2 — CID 174114069

IUPAC3-hydroxy-6-(2-methylbutan-2-yl)-1H-pyridin-2-one
SMILESCCC(C)(C)c1ccc(O)c(=O)[nH]1
InChIInChI=1S/C10H15NO2/c1-4-10(2,3)8-6-5-7(12)9(13)11-8/h5-6,12H,4H2,1-3H3,(H,11,13)
InChIKeySALWGGALMKRUIW-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.77
Rot. Bonds2

About 3-hydroxy-6-(2-methylbutan-2-yl)-1H-pyridin-2-one

3-hydroxy-6-(2-methylbutan-2-yl)-1H-pyridin-2-one (PubChem CID 174114069) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-hydroxy-6-(2-methylbutan-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-hydroxy-6-(2-methylbutan-2-yl)-1H-pyridin-2-one
PubChem CID174114069
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-hydroxy-6-(2-methylbutan-2-yl)-1H-pyridin-2-one
SMILESCCC(C)(C)c1ccc(O)c(=O)[nH]1
InChIInChI=1S/C10H15NO2/c1-4-10(2,3)8-6-5-7(12)9(13)11-8/h5-6,12H,4H2,1-3H3,(H,11,13)
InChIKeySALWGGALMKRUIW-UHFFFAOYSA-N
XLogP1.77
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(2-methylbutan-2-yl)-1H-pyridin-2-one?
The IUPAC name of 3-hydroxy-6-(2-methylbutan-2-yl)-1H-pyridin-2-one (CID 174114069) is 3-hydroxy-6-(2-methylbutan-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-hydroxy-6-(2-methylbutan-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-hydroxy-6-(2-methylbutan-2-yl)-1H-pyridin-2-one is CCC(C)(C)c1ccc(O)c(=O)[nH]1.
What is the InChIKey of 3-hydroxy-6-(2-methylbutan-2-yl)-1H-pyridin-2-one?
The InChIKey is SALWGGALMKRUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-10(2,3)8-6-5-7(12)9(13)11-8/h5-6,12H,4H2,1-3H3,(H,11,13).
What are the key properties of 3-hydroxy-6-(2-methylbutan-2-yl)-1H-pyridin-2-one?
3-hydroxy-6-(2-methylbutan-2-yl)-1H-pyridin-2-one has a molecular weight of 181.23 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(2-methylbutan-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 174114069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).