3-ethyl-1-(2-hydroxyethyl)pyridin-4-one

C9H13NO2 — CID 100948052

IUPAC3-ethyl-1-(2-hydroxyethyl)pyridin-4-one
SMILESCCc1cn(CCO)ccc1=O
InChIInChI=1S/C9H13NO2/c1-2-8-7-10(5-6-11)4-3-9(8)12/h3-4,7,11H,2,5-6H2,1H3
InChIKeyHRIYARXHXLWFHS-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.40
Rot. Bonds3

About 3-ethyl-1-(2-hydroxyethyl)pyridin-4-one

3-ethyl-1-(2-hydroxyethyl)pyridin-4-one (PubChem CID 100948052) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-ethyl-1-(2-hydroxyethyl)pyridin-4-one.

Molecular Properties

Compound Name3-ethyl-1-(2-hydroxyethyl)pyridin-4-one
PubChem CID100948052
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-ethyl-1-(2-hydroxyethyl)pyridin-4-one
SMILESCCc1cn(CCO)ccc1=O
InChIInChI=1S/C9H13NO2/c1-2-8-7-10(5-6-11)4-3-9(8)12/h3-4,7,11H,2,5-6H2,1H3
InChIKeyHRIYARXHXLWFHS-UHFFFAOYSA-N
XLogP0.40
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-hydroxyethyl)pyridin-4-one?
The IUPAC name of 3-ethyl-1-(2-hydroxyethyl)pyridin-4-one (CID 100948052) is 3-ethyl-1-(2-hydroxyethyl)pyridin-4-one.
What is the SMILES notation for 3-ethyl-1-(2-hydroxyethyl)pyridin-4-one?
The canonical SMILES for 3-ethyl-1-(2-hydroxyethyl)pyridin-4-one is CCc1cn(CCO)ccc1=O.
What is the InChIKey of 3-ethyl-1-(2-hydroxyethyl)pyridin-4-one?
The InChIKey is HRIYARXHXLWFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-8-7-10(5-6-11)4-3-9(8)12/h3-4,7,11H,2,5-6H2,1H3.
What are the key properties of 3-ethyl-1-(2-hydroxyethyl)pyridin-4-one?
3-ethyl-1-(2-hydroxyethyl)pyridin-4-one has a molecular weight of 167.21 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-hydroxyethyl)pyridin-4-one is sourced from PubChem (CID 100948052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).