1-(4-ethoxy-2-methyl-2H-pyridin-1-yl)ethanone

C10H15NO2 — CID 18711295

IUPAC1-(4-ethoxy-2-methyl-2H-pyridin-1-yl)ethanone
SMILESCCOC1=CC(C)N(C(C)=O)C=C1
InChIInChI=1S/C10H15NO2/c1-4-13-10-5-6-11(9(3)12)8(2)7-10/h5-8H,4H2,1-3H3
InChIKeyVEBIPDNCNRZTGH-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.67
Rot. Bonds2

About 1-(4-ethoxy-2-methyl-2H-pyridin-1-yl)ethanone

1-(4-ethoxy-2-methyl-2H-pyridin-1-yl)ethanone (PubChem CID 18711295) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(4-ethoxy-2-methyl-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethoxy-2-methyl-2H-pyridin-1-yl)ethanone
PubChem CID18711295
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-(4-ethoxy-2-methyl-2H-pyridin-1-yl)ethanone
SMILESCCOC1=CC(C)N(C(C)=O)C=C1
InChIInChI=1S/C10H15NO2/c1-4-13-10-5-6-11(9(3)12)8(2)7-10/h5-8H,4H2,1-3H3
InChIKeyVEBIPDNCNRZTGH-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-methoxy-2-methyl-2H-pyridine-1-carboxylate
CID 18711316
4-Ethoxy-1-ethylpyridin-2-one
CID 20263434
4-Butoxy-1-propan-2-ylpyridin-2-one
CID 89745343
4-methoxy-2-methyl-2H-pyridine-1-carboxylic acid
CID 91100899
1-Ethyl-4-propoxypyridin-2-one
CID 140594244
1-(4-Methoxycyclohepta-2,4-dien-6-yn-1-yl)pyridin-2-one
CID 143329578
1-(4-methoxy-2H-pyridin-1-yl)ethanone
CID 149947240
1-(4-ethoxy-2H-pyridin-1-yl)ethanone
CID 152396120
1-Propan-2-yl-4-propoxypyridin-2-one
CID 164856120
4-(2-Methylpropoxy)-1-propan-2-ylpyridin-2-one
CID 164856484
4-Methoxy-1-propan-2-ylpyridin-2-one
CID 171101157

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2-methyl-2H-pyridin-1-yl)ethanone?
The IUPAC name of 1-(4-ethoxy-2-methyl-2H-pyridin-1-yl)ethanone (CID 18711295) is 1-(4-ethoxy-2-methyl-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 1-(4-ethoxy-2-methyl-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 1-(4-ethoxy-2-methyl-2H-pyridin-1-yl)ethanone is CCOC1=CC(C)N(C(C)=O)C=C1.
What is the InChIKey of 1-(4-ethoxy-2-methyl-2H-pyridin-1-yl)ethanone?
The InChIKey is VEBIPDNCNRZTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-13-10-5-6-11(9(3)12)8(2)7-10/h5-8H,4H2,1-3H3.
What are the key properties of 1-(4-ethoxy-2-methyl-2H-pyridin-1-yl)ethanone?
1-(4-ethoxy-2-methyl-2H-pyridin-1-yl)ethanone has a molecular weight of 181.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2-methyl-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 18711295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).