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

C10H15NO3 — CID 19780058

IUPAC3-hydroxy-1-(3-methoxypropyl)-2-methylpyridin-4-one
SMILESCOCCCn1ccc(=O)c(O)c1C
InChIInChI=1S/C10H15NO3/c1-8-10(13)9(12)4-6-11(8)5-3-7-14-2/h4,6,13H,3,5,7H2,1-2H3
InChIKeyFXEIHTGCNRLOMO-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.90
Rot. Bonds4

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

3-hydroxy-1-(3-methoxypropyl)-2-methylpyridin-4-one (PubChem CID 19780058) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-hydroxy-1-(3-methoxypropyl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-(3-methoxypropyl)-2-methylpyridin-4-one
PubChem CID19780058
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-hydroxy-1-(3-methoxypropyl)-2-methylpyridin-4-one
SMILESCOCCCn1ccc(=O)c(O)c1C
InChIInChI=1S/C10H15NO3/c1-8-10(13)9(12)4-6-11(8)5-3-7-14-2/h4,6,13H,3,5,7H2,1-2H3
InChIKeyFXEIHTGCNRLOMO-UHFFFAOYSA-N
XLogP0.90
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(3-methoxypropyl)-2-methylpyridin-4-one?
The IUPAC name of 3-hydroxy-1-(3-methoxypropyl)-2-methylpyridin-4-one (CID 19780058) is 3-hydroxy-1-(3-methoxypropyl)-2-methylpyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-(3-methoxypropyl)-2-methylpyridin-4-one?
The canonical SMILES for 3-hydroxy-1-(3-methoxypropyl)-2-methylpyridin-4-one is COCCCn1ccc(=O)c(O)c1C.
What is the InChIKey of 3-hydroxy-1-(3-methoxypropyl)-2-methylpyridin-4-one?
The InChIKey is FXEIHTGCNRLOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-8-10(13)9(12)4-6-11(8)5-3-7-14-2/h4,6,13H,3,5,7H2,1-2H3.
What are the key properties of 3-hydroxy-1-(3-methoxypropyl)-2-methylpyridin-4-one?
3-hydroxy-1-(3-methoxypropyl)-2-methylpyridin-4-one has a molecular weight of 197.23 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(3-methoxypropyl)-2-methylpyridin-4-one is sourced from PubChem (CID 19780058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).