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

C11H17NO3 — CID 10036053

IUPAC1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one
SMILESCCOCCCn1ccc(=O)c(O)c1C
InChIInChI=1S/C11H17NO3/c1-3-15-8-4-6-12-7-5-10(13)11(14)9(12)2/h5,7,14H,3-4,6,8H2,1-2H3
InChIKeyRDBPFOOVDDQURR-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.29
Rot. Bonds5

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

1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one (PubChem CID 10036053) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one
PubChem CID10036053
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one
SMILESCCOCCCn1ccc(=O)c(O)c1C
InChIInChI=1S/C11H17NO3/c1-3-15-8-4-6-12-7-5-10(13)11(14)9(12)2/h5,7,14H,3-4,6,8H2,1-2H3
InChIKeyRDBPFOOVDDQURR-UHFFFAOYSA-N
XLogP1.29
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.29
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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Related Compounds

Deferiprone
CID 2972
CP 94
CID 86322
3-Hydroxy-2-methyl-1-propyl-4(1H)-pyridone
CID 121732
1-Ethyl-3-hydroxy-2-methyl-4-pyridinone
CID 94413
3-Hydroxy-1-(2-methoxyethyl)-2-methyl-4(1H)-pyridinone
CID 86345
4(1H)-Pyridinone, 2-ethyl-3-hydroxy-1-(2-methoxyethyl)-
CID 86380
1-Allyl-2-methyl-3-hydroxypyrid-4-one
CID 3012091
5-Hydroxy-2-methyl-1-(oxan-4-yl)pyridin-4-one
CID 130407789
2-Ethyl-3-hydroxy-1-methyl-4(1H)-pyridinone
CID 86320
3-Hydroxy-1-(2-hydroxyethyl)-2-methyl-4(1H)-pyridinone
CID 94414
1-Butyl-2-methyl-3-hydroxypyridin-4-one
CID 121733
4(1H)-Pyridinone, 3-hydroxy-2-methyl-1-pentyl-
CID 121734

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one?
The IUPAC name of 1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one (CID 10036053) is 1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one?
The canonical SMILES for 1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one is CCOCCCn1ccc(=O)c(O)c1C.
What is the InChIKey of 1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one?
The InChIKey is RDBPFOOVDDQURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-15-8-4-6-12-7-5-10(13)11(14)9(12)2/h5,7,14H,3-4,6,8H2,1-2H3.
What are the key properties of 1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one?
1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one has a molecular weight of 211.26 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one is sourced from PubChem (CID 10036053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).