6-(methoxymethyl)-1-methyl-3-propan-2-ylpyridin-2-one

C11H17NO2 — CID 178099233

IUPAC6-(methoxymethyl)-1-methyl-3-propan-2-ylpyridin-2-one
SMILESCOCc1ccc(C(C)C)c(=O)n1C
InChIInChI=1S/C11H17NO2/c1-8(2)10-6-5-9(7-14-4)12(3)11(10)13/h5-6,8H,7H2,1-4H3
InChIKeyPRULENMKJIUQPW-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.66
Rot. Bonds3

About 6-(methoxymethyl)-1-methyl-3-propan-2-ylpyridin-2-one

6-(methoxymethyl)-1-methyl-3-propan-2-ylpyridin-2-one (PubChem CID 178099233) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 6-(methoxymethyl)-1-methyl-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name6-(methoxymethyl)-1-methyl-3-propan-2-ylpyridin-2-one
PubChem CID178099233
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name6-(methoxymethyl)-1-methyl-3-propan-2-ylpyridin-2-one
SMILESCOCc1ccc(C(C)C)c(=O)n1C
InChIInChI=1S/C11H17NO2/c1-8(2)10-6-5-9(7-14-4)12(3)11(10)13/h5-6,8H,7H2,1-4H3
InChIKeyPRULENMKJIUQPW-UHFFFAOYSA-N
XLogP1.66
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-1-methyl-3-propan-2-ylpyridin-2-one?
The IUPAC name of 6-(methoxymethyl)-1-methyl-3-propan-2-ylpyridin-2-one (CID 178099233) is 6-(methoxymethyl)-1-methyl-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for 6-(methoxymethyl)-1-methyl-3-propan-2-ylpyridin-2-one?
The canonical SMILES for 6-(methoxymethyl)-1-methyl-3-propan-2-ylpyridin-2-one is COCc1ccc(C(C)C)c(=O)n1C.
What is the InChIKey of 6-(methoxymethyl)-1-methyl-3-propan-2-ylpyridin-2-one?
The InChIKey is PRULENMKJIUQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(2)10-6-5-9(7-14-4)12(3)11(10)13/h5-6,8H,7H2,1-4H3.
What are the key properties of 6-(methoxymethyl)-1-methyl-3-propan-2-ylpyridin-2-one?
6-(methoxymethyl)-1-methyl-3-propan-2-ylpyridin-2-one has a molecular weight of 195.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-1-methyl-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 178099233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).