5-acetyl-4-hydroxy-6-methyl-3-propan-2-yl-1H-pyridin-2-one

C11H15NO3 — CID 54708964

IUPAC5-acetyl-4-hydroxy-6-methyl-3-propan-2-yl-1H-pyridin-2-one
SMILESCC(=O)c1c(C)[nH]c(=O)c(C(C)C)c1O
InChIInChI=1S/C11H15NO3/c1-5(2)8-10(14)9(7(4)13)6(3)12-11(8)15/h5H,1-4H3,(H2,12,14,15)
InChIKeyFDXUZZUYFDKIEB-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.71
Rot. Bonds2

About 5-acetyl-4-hydroxy-6-methyl-3-propan-2-yl-1H-pyridin-2-one

5-acetyl-4-hydroxy-6-methyl-3-propan-2-yl-1H-pyridin-2-one (PubChem CID 54708964) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 5-acetyl-4-hydroxy-6-methyl-3-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-acetyl-4-hydroxy-6-methyl-3-propan-2-yl-1H-pyridin-2-one
PubChem CID54708964
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name5-acetyl-4-hydroxy-6-methyl-3-propan-2-yl-1H-pyridin-2-one
SMILESCC(=O)c1c(C)[nH]c(=O)c(C(C)C)c1O
InChIInChI=1S/C11H15NO3/c1-5(2)8-10(14)9(7(4)13)6(3)12-11(8)15/h5H,1-4H3,(H2,12,14,15)
InChIKeyFDXUZZUYFDKIEB-UHFFFAOYSA-N
XLogP1.71
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-hydroxy-6-methyl-3-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 5-acetyl-4-hydroxy-6-methyl-3-propan-2-yl-1H-pyridin-2-one (CID 54708964) is 5-acetyl-4-hydroxy-6-methyl-3-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 5-acetyl-4-hydroxy-6-methyl-3-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 5-acetyl-4-hydroxy-6-methyl-3-propan-2-yl-1H-pyridin-2-one is CC(=O)c1c(C)[nH]c(=O)c(C(C)C)c1O.
What is the InChIKey of 5-acetyl-4-hydroxy-6-methyl-3-propan-2-yl-1H-pyridin-2-one?
The InChIKey is FDXUZZUYFDKIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-5(2)8-10(14)9(7(4)13)6(3)12-11(8)15/h5H,1-4H3,(H2,12,14,15).
What are the key properties of 5-acetyl-4-hydroxy-6-methyl-3-propan-2-yl-1H-pyridin-2-one?
5-acetyl-4-hydroxy-6-methyl-3-propan-2-yl-1H-pyridin-2-one has a molecular weight of 209.24 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-hydroxy-6-methyl-3-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 54708964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).