5-ethyl-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one

C10H15NO3 — CID 23338659

IUPAC5-ethyl-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one
SMILESCCc1c(C)cc(=O)n(CCO)c1O
InChIInChI=1S/C10H15NO3/c1-3-8-7(2)6-9(13)11(4-5-12)10(8)14/h6,12,14H,3-5H2,1-2H3
InChIKeyKUEKXMRWERMEPN-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.42
Rot. Bonds3

About 5-ethyl-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one

5-ethyl-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one (PubChem CID 23338659) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 5-ethyl-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-ethyl-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one
PubChem CID23338659
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name5-ethyl-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one
SMILESCCc1c(C)cc(=O)n(CCO)c1O
InChIInChI=1S/C10H15NO3/c1-3-8-7(2)6-9(13)11(4-5-12)10(8)14/h6,12,14H,3-5H2,1-2H3
InChIKeyKUEKXMRWERMEPN-UHFFFAOYSA-N
XLogP0.42
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one?
The IUPAC name of 5-ethyl-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one (CID 23338659) is 5-ethyl-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one.
What is the SMILES notation for 5-ethyl-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one?
The canonical SMILES for 5-ethyl-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one is CCc1c(C)cc(=O)n(CCO)c1O.
What is the InChIKey of 5-ethyl-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one?
The InChIKey is KUEKXMRWERMEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-8-7(2)6-9(13)11(4-5-12)10(8)14/h6,12,14H,3-5H2,1-2H3.
What are the key properties of 5-ethyl-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one?
5-ethyl-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one has a molecular weight of 197.23 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydroxy-1-(2-hydroxyethyl)-4-methylpyridin-2-one is sourced from PubChem (CID 23338659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).