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

C9H13NO3 — CID 18534334

IUPAC3-hydroxy-1-(1-methoxyethyl)-2-methylpyridin-4-one
SMILESCOC(C)n1ccc(=O)c(O)c1C
InChIInChI=1S/C9H13NO3/c1-6-9(12)8(11)4-5-10(6)7(2)13-3/h4-5,7,12H,1-3H3
InChIKeySOYBJLKPJGGHCA-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.03
Rot. Bonds2

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

3-hydroxy-1-(1-methoxyethyl)-2-methylpyridin-4-one (PubChem CID 18534334) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-hydroxy-1-(1-methoxyethyl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-(1-methoxyethyl)-2-methylpyridin-4-one
PubChem CID18534334
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name3-hydroxy-1-(1-methoxyethyl)-2-methylpyridin-4-one
SMILESCOC(C)n1ccc(=O)c(O)c1C
InChIInChI=1S/C9H13NO3/c1-6-9(12)8(11)4-5-10(6)7(2)13-3/h4-5,7,12H,1-3H3
InChIKeySOYBJLKPJGGHCA-UHFFFAOYSA-N
XLogP1.03
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(1-methoxyethyl)-2-methylpyridin-4-one?
The IUPAC name of 3-hydroxy-1-(1-methoxyethyl)-2-methylpyridin-4-one (CID 18534334) is 3-hydroxy-1-(1-methoxyethyl)-2-methylpyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-(1-methoxyethyl)-2-methylpyridin-4-one?
The canonical SMILES for 3-hydroxy-1-(1-methoxyethyl)-2-methylpyridin-4-one is COC(C)n1ccc(=O)c(O)c1C.
What is the InChIKey of 3-hydroxy-1-(1-methoxyethyl)-2-methylpyridin-4-one?
The InChIKey is SOYBJLKPJGGHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6-9(12)8(11)4-5-10(6)7(2)13-3/h4-5,7,12H,1-3H3.
What are the key properties of 3-hydroxy-1-(1-methoxyethyl)-2-methylpyridin-4-one?
3-hydroxy-1-(1-methoxyethyl)-2-methylpyridin-4-one has a molecular weight of 183.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(1-methoxyethyl)-2-methylpyridin-4-one is sourced from PubChem (CID 18534334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).