1-[6-(2-cyclopropylethoxy)-3-pyridinyl]ethanone

C12H15NO2 — CID 106202164

IUPAC1-[6-(2-cyclopropylethoxy)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(OCCC2CC2)nc1
InChIInChI=1S/C12H15NO2/c1-9(14)11-4-5-12(13-8-11)15-7-6-10-2-3-10/h4-5,8,10H,2-3,6-7H2,1H3
InChIKeyVYTWVVZVWCRWTQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.46
Rot. Bonds5

About 1-[6-(2-cyclopropylethoxy)-3-pyridinyl]ethanone

1-[6-(2-cyclopropylethoxy)-3-pyridinyl]ethanone (PubChem CID 106202164) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[6-(2-cyclopropylethoxy)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(2-cyclopropylethoxy)-3-pyridinyl]ethanone
PubChem CID106202164
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-[6-(2-cyclopropylethoxy)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(OCCC2CC2)nc1
InChIInChI=1S/C12H15NO2/c1-9(14)11-4-5-12(13-8-11)15-7-6-10-2-3-10/h4-5,8,10H,2-3,6-7H2,1H3
InChIKeyVYTWVVZVWCRWTQ-UHFFFAOYSA-N
XLogP2.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(2-fluoroethoxy)-3-pyridinyl]ethanone
CID 58629025
6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]pyridine-3-carboxylic acid
CID 19034100
1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]ethanone
CID 106202171
2-(2-cyclopropylethoxy)-5-methylsulfonylpyridine
CID 123409029
6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carboxylic acid
CID 61101138
6-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide
CID 114796308
ethane;1-(6-methoxy-3-pyridinyl)ethanone
CID 142833845
1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone
CID 114341231
1-[6-(oxetan-3-yloxy)-3-pyridinyl]ethanone
CID 102604862
6-(cyclopropylmethoxy)pyridine-3-carbonyl chloride
CID 118481303
6-(cyclopentylmethoxy)pyridine-3-carboxylic acid
CID 66324302
1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanone
CID 106202167

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-cyclopropylethoxy)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(2-cyclopropylethoxy)-3-pyridinyl]ethanone (CID 106202164) is 1-[6-(2-cyclopropylethoxy)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(2-cyclopropylethoxy)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(2-cyclopropylethoxy)-3-pyridinyl]ethanone is CC(=O)c1ccc(OCCC2CC2)nc1.
What is the InChIKey of 1-[6-(2-cyclopropylethoxy)-3-pyridinyl]ethanone?
The InChIKey is VYTWVVZVWCRWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(14)11-4-5-12(13-8-11)15-7-6-10-2-3-10/h4-5,8,10H,2-3,6-7H2,1H3.
What are the key properties of 1-[6-(2-cyclopropylethoxy)-3-pyridinyl]ethanone?
1-[6-(2-cyclopropylethoxy)-3-pyridinyl]ethanone has a molecular weight of 205.26 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-cyclopropylethoxy)-3-pyridinyl]ethanone is sourced from PubChem (CID 106202164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).