1-(2-methoxyethyl)-5-methyl-3-propan-2-ylpyridin-2-one

C12H19NO2 — CID 178099350

IUPAC1-(2-methoxyethyl)-5-methyl-3-propan-2-ylpyridin-2-one
SMILESCOCCn1cc(C)cc(C(C)C)c1=O
InChIInChI=1S/C12H19NO2/c1-9(2)11-7-10(3)8-13(12(11)14)5-6-15-4/h7-9H,5-6H2,1-4H3
InChIKeyZBNOGWNEZMWZJE-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.93
Rot. Bonds4

About 1-(2-methoxyethyl)-5-methyl-3-propan-2-ylpyridin-2-one

1-(2-methoxyethyl)-5-methyl-3-propan-2-ylpyridin-2-one (PubChem CID 178099350) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-methyl-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-methyl-3-propan-2-ylpyridin-2-one
PubChem CID178099350
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-(2-methoxyethyl)-5-methyl-3-propan-2-ylpyridin-2-one
SMILESCOCCn1cc(C)cc(C(C)C)c1=O
InChIInChI=1S/C12H19NO2/c1-9(2)11-7-10(3)8-13(12(11)14)5-6-15-4/h7-9H,5-6H2,1-4H3
InChIKeyZBNOGWNEZMWZJE-UHFFFAOYSA-N
XLogP1.93
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-methyl-3-propan-2-ylpyridin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-5-methyl-3-propan-2-ylpyridin-2-one (CID 178099350) is 1-(2-methoxyethyl)-5-methyl-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-5-methyl-3-propan-2-ylpyridin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-5-methyl-3-propan-2-ylpyridin-2-one is COCCn1cc(C)cc(C(C)C)c1=O.
What is the InChIKey of 1-(2-methoxyethyl)-5-methyl-3-propan-2-ylpyridin-2-one?
The InChIKey is ZBNOGWNEZMWZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(2)11-7-10(3)8-13(12(11)14)5-6-15-4/h7-9H,5-6H2,1-4H3.
What are the key properties of 1-(2-methoxyethyl)-5-methyl-3-propan-2-ylpyridin-2-one?
1-(2-methoxyethyl)-5-methyl-3-propan-2-ylpyridin-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-methyl-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 178099350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).