1-(1-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one

C11H17NO3 — CID 18534267

IUPAC1-(1-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one
SMILESCCOC(CC)n1ccc(=O)c(O)c1C
InChIInChI=1S/C11H17NO3/c1-4-10(15-5-2)12-7-6-9(13)11(14)8(12)3/h6-7,10,14H,4-5H2,1-3H3
InChIKeyCRUZDVBEYNWXEH-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.81
Rot. Bonds4

About 1-(1-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one

1-(1-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one (PubChem CID 18534267) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(1-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-(1-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one
PubChem CID18534267
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(1-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one
SMILESCCOC(CC)n1ccc(=O)c(O)c1C
InChIInChI=1S/C11H17NO3/c1-4-10(15-5-2)12-7-6-9(13)11(14)8(12)3/h6-7,10,14H,4-5H2,1-3H3
InChIKeyCRUZDVBEYNWXEH-UHFFFAOYSA-N
XLogP1.81
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one?
The IUPAC name of 1-(1-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one (CID 18534267) is 1-(1-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one.
What is the SMILES notation for 1-(1-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one?
The canonical SMILES for 1-(1-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one is CCOC(CC)n1ccc(=O)c(O)c1C.
What is the InChIKey of 1-(1-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one?
The InChIKey is CRUZDVBEYNWXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-10(15-5-2)12-7-6-9(13)11(14)8(12)3/h6-7,10,14H,4-5H2,1-3H3.
What are the key properties of 1-(1-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one?
1-(1-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one has a molecular weight of 211.26 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one is sourced from PubChem (CID 18534267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).