5-hydroxy-2-methyl-1-(oxan-4-yl)pyridin-4-one

C11H15NO3 — CID 130407789

IUPAC5-hydroxy-2-methyl-1-(oxan-4-yl)pyridin-4-one
SMILESCc1cc(=O)c(O)cn1C1CCOCC1
InChIInChI=1S/C11H15NO3/c1-8-6-10(13)11(14)7-12(8)9-2-4-15-5-3-9/h6-7,9,14H,2-5H2,1H3
InChIKeyAGFWVRZYSISWRT-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.21
Rot. Bonds1

About 5-hydroxy-2-methyl-1-(oxan-4-yl)pyridin-4-one

5-hydroxy-2-methyl-1-(oxan-4-yl)pyridin-4-one (PubChem CID 130407789) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-1-(oxan-4-yl)pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-2-methyl-1-(oxan-4-yl)pyridin-4-one
PubChem CID130407789
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name5-hydroxy-2-methyl-1-(oxan-4-yl)pyridin-4-one
SMILESCc1cc(=O)c(O)cn1C1CCOCC1
InChIInChI=1S/C11H15NO3/c1-8-6-10(13)11(14)7-12(8)9-2-4-15-5-3-9/h6-7,9,14H,2-5H2,1H3
InChIKeyAGFWVRZYSISWRT-UHFFFAOYSA-N
XLogP1.21
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-1-(oxan-4-yl)pyridin-4-one?
The IUPAC name of 5-hydroxy-2-methyl-1-(oxan-4-yl)pyridin-4-one (CID 130407789) is 5-hydroxy-2-methyl-1-(oxan-4-yl)pyridin-4-one.
What is the SMILES notation for 5-hydroxy-2-methyl-1-(oxan-4-yl)pyridin-4-one?
The canonical SMILES for 5-hydroxy-2-methyl-1-(oxan-4-yl)pyridin-4-one is Cc1cc(=O)c(O)cn1C1CCOCC1.
What is the InChIKey of 5-hydroxy-2-methyl-1-(oxan-4-yl)pyridin-4-one?
The InChIKey is AGFWVRZYSISWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-6-10(13)11(14)7-12(8)9-2-4-15-5-3-9/h6-7,9,14H,2-5H2,1H3.
What are the key properties of 5-hydroxy-2-methyl-1-(oxan-4-yl)pyridin-4-one?
5-hydroxy-2-methyl-1-(oxan-4-yl)pyridin-4-one has a molecular weight of 209.24 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-1-(oxan-4-yl)pyridin-4-one is sourced from PubChem (CID 130407789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).