6-(2-ethyl-3-oxobutyl)-3-hydroxy-1H-pyridin-2-one

C11H15NO3 — CID 121222593

IUPAC6-(2-ethyl-3-oxobutyl)-3-hydroxy-1H-pyridin-2-one
SMILESCCC(Cc1ccc(O)c(=O)[nH]1)C(C)=O
InChIInChI=1S/C11H15NO3/c1-3-8(7(2)13)6-9-4-5-10(14)11(15)12-9/h4-5,8,14H,3,6H2,1-2H3,(H,12,15)
InChIKeyKHMUHQLTJHRQRC-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.24
Rot. Bonds4

About 6-(2-ethyl-3-oxobutyl)-3-hydroxy-1H-pyridin-2-one

6-(2-ethyl-3-oxobutyl)-3-hydroxy-1H-pyridin-2-one (PubChem CID 121222593) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 6-(2-ethyl-3-oxobutyl)-3-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2-ethyl-3-oxobutyl)-3-hydroxy-1H-pyridin-2-one
PubChem CID121222593
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name6-(2-ethyl-3-oxobutyl)-3-hydroxy-1H-pyridin-2-one
SMILESCCC(Cc1ccc(O)c(=O)[nH]1)C(C)=O
InChIInChI=1S/C11H15NO3/c1-3-8(7(2)13)6-9-4-5-10(14)11(15)12-9/h4-5,8,14H,3,6H2,1-2H3,(H,12,15)
InChIKeyKHMUHQLTJHRQRC-UHFFFAOYSA-N
XLogP1.24
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-3-oxobutyl)-3-hydroxy-1H-pyridin-2-one?
The IUPAC name of 6-(2-ethyl-3-oxobutyl)-3-hydroxy-1H-pyridin-2-one (CID 121222593) is 6-(2-ethyl-3-oxobutyl)-3-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 6-(2-ethyl-3-oxobutyl)-3-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 6-(2-ethyl-3-oxobutyl)-3-hydroxy-1H-pyridin-2-one is CCC(Cc1ccc(O)c(=O)[nH]1)C(C)=O.
What is the InChIKey of 6-(2-ethyl-3-oxobutyl)-3-hydroxy-1H-pyridin-2-one?
The InChIKey is KHMUHQLTJHRQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-8(7(2)13)6-9-4-5-10(14)11(15)12-9/h4-5,8,14H,3,6H2,1-2H3,(H,12,15).
What are the key properties of 6-(2-ethyl-3-oxobutyl)-3-hydroxy-1H-pyridin-2-one?
6-(2-ethyl-3-oxobutyl)-3-hydroxy-1H-pyridin-2-one has a molecular weight of 209.24 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-3-oxobutyl)-3-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 121222593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).