3-hydroxy-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one

C10H15NO3 — CID 14956303

IUPAC3-hydroxy-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one
SMILESCOCC(C)n1ccc(=O)c(O)c1C
InChIInChI=1S/C10H15NO3/c1-7(6-14-3)11-5-4-9(12)10(13)8(11)2/h4-5,7,13H,6H2,1-3H3
InChIKeyUNKPGOPBWXOKIH-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.07
Rot. Bonds3

About 3-hydroxy-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one

3-hydroxy-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one (PubChem CID 14956303) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-hydroxy-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one
PubChem CID14956303
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-hydroxy-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one
SMILESCOCC(C)n1ccc(=O)c(O)c1C
InChIInChI=1S/C10H15NO3/c1-7(6-14-3)11-5-4-9(12)10(13)8(11)2/h4-5,7,13H,6H2,1-3H3
InChIKeyUNKPGOPBWXOKIH-UHFFFAOYSA-N
XLogP1.07
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.07
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-methoxypropan-2-yl)-2-methylpyridin-4-one?
The IUPAC name of 3-hydroxy-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one (CID 14956303) is 3-hydroxy-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one?
The canonical SMILES for 3-hydroxy-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one is COCC(C)n1ccc(=O)c(O)c1C.
What is the InChIKey of 3-hydroxy-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one?
The InChIKey is UNKPGOPBWXOKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(6-14-3)11-5-4-9(12)10(13)8(11)2/h4-5,7,13H,6H2,1-3H3.
What are the key properties of 3-hydroxy-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one?
3-hydroxy-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one has a molecular weight of 197.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(1-methoxypropan-2-yl)-2-methylpyridin-4-one is sourced from PubChem (CID 14956303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).