1-(ethoxymethyl)-4-hydroxypyridin-2-one

C8H11NO3 — CID 54731296

IUPAC1-(ethoxymethyl)-4-hydroxypyridin-2-one
SMILESCCOCn1ccc(O)cc1=O
InChIInChI=1S/C8H11NO3/c1-2-12-6-9-4-3-7(10)5-8(9)11/h3-5,10H,2,6H2,1H3
InChIKeyISNOKEQHIDEOOJ-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.55
Rot. Bonds3

About 1-(ethoxymethyl)-4-hydroxypyridin-2-one

1-(ethoxymethyl)-4-hydroxypyridin-2-one (PubChem CID 54731296) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-(ethoxymethyl)-4-hydroxypyridin-2-one.

Molecular Properties

Compound Name1-(ethoxymethyl)-4-hydroxypyridin-2-one
PubChem CID54731296
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name1-(ethoxymethyl)-4-hydroxypyridin-2-one
SMILESCCOCn1ccc(O)cc1=O
InChIInChI=1S/C8H11NO3/c1-2-12-6-9-4-3-7(10)5-8(9)11/h3-5,10H,2,6H2,1H3
InChIKeyISNOKEQHIDEOOJ-UHFFFAOYSA-N
XLogP0.55
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-4-hydroxypyridin-2-one?
The IUPAC name of 1-(ethoxymethyl)-4-hydroxypyridin-2-one (CID 54731296) is 1-(ethoxymethyl)-4-hydroxypyridin-2-one.
What is the SMILES notation for 1-(ethoxymethyl)-4-hydroxypyridin-2-one?
The canonical SMILES for 1-(ethoxymethyl)-4-hydroxypyridin-2-one is CCOCn1ccc(O)cc1=O.
What is the InChIKey of 1-(ethoxymethyl)-4-hydroxypyridin-2-one?
The InChIKey is ISNOKEQHIDEOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-12-6-9-4-3-7(10)5-8(9)11/h3-5,10H,2,6H2,1H3.
What are the key properties of 1-(ethoxymethyl)-4-hydroxypyridin-2-one?
1-(ethoxymethyl)-4-hydroxypyridin-2-one has a molecular weight of 169.18 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-4-hydroxypyridin-2-one is sourced from PubChem (CID 54731296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).