3-ethyl-1,4,5,6-tetramethylpyridin-2-one

C11H17NO — CID 146614941

IUPAC3-ethyl-1,4,5,6-tetramethylpyridin-2-one
SMILESCCc1c(C)c(C)c(C)n(C)c1=O
InChIInChI=1S/C11H17NO/c1-6-10-8(3)7(2)9(4)12(5)11(10)13/h6H2,1-5H3
InChIKeyMPQBJERUCYVVGN-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.87
Rot. Bonds1

About 3-ethyl-1,4,5,6-tetramethylpyridin-2-one

3-ethyl-1,4,5,6-tetramethylpyridin-2-one (PubChem CID 146614941) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-ethyl-1,4,5,6-tetramethylpyridin-2-one.

Molecular Properties

Compound Name3-ethyl-1,4,5,6-tetramethylpyridin-2-one
PubChem CID146614941
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-ethyl-1,4,5,6-tetramethylpyridin-2-one
SMILESCCc1c(C)c(C)c(C)n(C)c1=O
InChIInChI=1S/C11H17NO/c1-6-10-8(3)7(2)9(4)12(5)11(10)13/h6H2,1-5H3
InChIKeyMPQBJERUCYVVGN-UHFFFAOYSA-N
XLogP1.87
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,4,5,6-tetramethylpyridin-2-one?
The IUPAC name of 3-ethyl-1,4,5,6-tetramethylpyridin-2-one (CID 146614941) is 3-ethyl-1,4,5,6-tetramethylpyridin-2-one.
What is the SMILES notation for 3-ethyl-1,4,5,6-tetramethylpyridin-2-one?
The canonical SMILES for 3-ethyl-1,4,5,6-tetramethylpyridin-2-one is CCc1c(C)c(C)c(C)n(C)c1=O.
What is the InChIKey of 3-ethyl-1,4,5,6-tetramethylpyridin-2-one?
The InChIKey is MPQBJERUCYVVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-6-10-8(3)7(2)9(4)12(5)11(10)13/h6H2,1-5H3.
What are the key properties of 3-ethyl-1,4,5,6-tetramethylpyridin-2-one?
3-ethyl-1,4,5,6-tetramethylpyridin-2-one has a molecular weight of 179.26 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,4,5,6-tetramethylpyridin-2-one is sourced from PubChem (CID 146614941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).