2-butan-2-yl-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-4-one

C10H15NO3 — CID 11356058

IUPAC2-butan-2-yl-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-4-one
SMILESCCC(C)c1[nH]cc(CO)c(=O)c1O
InChIInChI=1S/C10H15NO3/c1-3-6(2)8-10(14)9(13)7(5-12)4-11-8/h4,6,12,14H,3,5H2,1-2H3,(H,11,13)
InChIKeyZFHYGWYQYFCXHJ-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.09
Rot. Bonds3

About 2-butan-2-yl-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-4-one

2-butan-2-yl-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-4-one (PubChem CID 11356058) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-butan-2-yl-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-butan-2-yl-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-4-one
PubChem CID11356058
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-butan-2-yl-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-4-one
SMILESCCC(C)c1[nH]cc(CO)c(=O)c1O
InChIInChI=1S/C10H15NO3/c1-3-6(2)8-10(14)9(13)7(5-12)4-11-8/h4,6,12,14H,3,5H2,1-2H3,(H,11,13)
InChIKeyZFHYGWYQYFCXHJ-UHFFFAOYSA-N
XLogP1.09
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-4-one?
The IUPAC name of 2-butan-2-yl-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-4-one (CID 11356058) is 2-butan-2-yl-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-butan-2-yl-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-butan-2-yl-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-4-one is CCC(C)c1[nH]cc(CO)c(=O)c1O.
What is the InChIKey of 2-butan-2-yl-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-4-one?
The InChIKey is ZFHYGWYQYFCXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-6(2)8-10(14)9(13)7(5-12)4-11-8/h4,6,12,14H,3,5H2,1-2H3,(H,11,13).
What are the key properties of 2-butan-2-yl-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-4-one?
2-butan-2-yl-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-4-one has a molecular weight of 197.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-4-one is sourced from PubChem (CID 11356058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).