1-[5-(2-cyclobutylethoxy)-2-pyridinyl]ethanone

C13H17NO2 — CID 106202175

IUPAC1-[5-(2-cyclobutylethoxy)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(OCCC2CCC2)cn1
InChIInChI=1S/C13H17NO2/c1-10(15)13-6-5-12(9-14-13)16-8-7-11-3-2-4-11/h5-6,9,11H,2-4,7-8H2,1H3
InChIKeyPXGSSKFPPKUHST-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.85
Rot. Bonds5

About 1-[5-(2-cyclobutylethoxy)-2-pyridinyl]ethanone

1-[5-(2-cyclobutylethoxy)-2-pyridinyl]ethanone (PubChem CID 106202175) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-[5-(2-cyclobutylethoxy)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(2-cyclobutylethoxy)-2-pyridinyl]ethanone
PubChem CID106202175
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-[5-(2-cyclobutylethoxy)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(OCCC2CCC2)cn1
InChIInChI=1S/C13H17NO2/c1-10(15)13-6-5-12(9-14-13)16-8-7-11-3-2-4-11/h5-6,9,11H,2-4,7-8H2,1H3
InChIKeyPXGSSKFPPKUHST-UHFFFAOYSA-N
XLogP2.85
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethanone
CID 112587862
5-(2-cyclopropylethoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136731200
1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone
CID 142409466
1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone;ethane
CID 142409465
5-(2-cyclopropylethoxy)pyridine-2-carbaldehyde
CID 79794927
1-(5-but-3-ynoxy-2-pyridinyl)ethanone
CID 106795026
1-[5-(4,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanone
CID 114341234
1-[5-(3-methoxycyclohexyl)oxy-2-pyridinyl]ethanone
CID 83120164
5-(cyclopentylmethoxy)pyridine-2-carboxylic acid
CID 79794070
1-[5-(3-phenylpropoxy)-2-pyridinyl]ethanone
CID 83119690
2-cyclobutylethyl 5-(aminomethyl)pyridine-2-carboxylate
CID 106203037
4-(2-cyclobutylethoxy)-2-methylbenzoic acid
CID 106200438

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-cyclobutylethoxy)-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(2-cyclobutylethoxy)-2-pyridinyl]ethanone (CID 106202175) is 1-[5-(2-cyclobutylethoxy)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(2-cyclobutylethoxy)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(2-cyclobutylethoxy)-2-pyridinyl]ethanone is CC(=O)c1ccc(OCCC2CCC2)cn1.
What is the InChIKey of 1-[5-(2-cyclobutylethoxy)-2-pyridinyl]ethanone?
The InChIKey is PXGSSKFPPKUHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(15)13-6-5-12(9-14-13)16-8-7-11-3-2-4-11/h5-6,9,11H,2-4,7-8H2,1H3.
What are the key properties of 1-[5-(2-cyclobutylethoxy)-2-pyridinyl]ethanone?
1-[5-(2-cyclobutylethoxy)-2-pyridinyl]ethanone has a molecular weight of 219.28 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-cyclobutylethoxy)-2-pyridinyl]ethanone is sourced from PubChem (CID 106202175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).