1-(5-but-3-ynoxy-2-pyridinyl)ethanone

C11H11NO2 — CID 106795026

IUPAC1-(5-but-3-ynoxy-2-pyridinyl)ethanone
SMILESC#CCCOc1ccc(C(C)=O)nc1
InChIInChI=1S/C11H11NO2/c1-3-4-7-14-10-5-6-11(9(2)13)12-8-10/h1,5-6,8H,4,7H2,2H3
InChIKeyKJPLRIIBBNCJJW-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.69
Rot. Bonds4

About 1-(5-but-3-ynoxy-2-pyridinyl)ethanone

1-(5-but-3-ynoxy-2-pyridinyl)ethanone (PubChem CID 106795026) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-(5-but-3-ynoxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(5-but-3-ynoxy-2-pyridinyl)ethanone
PubChem CID106795026
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-(5-but-3-ynoxy-2-pyridinyl)ethanone
SMILESC#CCCOc1ccc(C(C)=O)nc1
InChIInChI=1S/C11H11NO2/c1-3-4-7-14-10-5-6-11(9(2)13)12-8-10/h1,5-6,8H,4,7H2,2H3
InChIKeyKJPLRIIBBNCJJW-UHFFFAOYSA-N
XLogP1.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-but-3-ynoxyphenyl)ethanone
CID 24705601
5-but-3-ynoxy-2-methylpyridine
CID 130668166
1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone
CID 142409466
1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethanone
CID 112587862
1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone;ethane
CID 142409465
2-bromo-5-but-3-ynoxypyridine
CID 103864136
1-[5-(3-phenylpropoxy)-2-pyridinyl]ethanone
CID 83119690
1-[5-(2-cyclobutylethoxy)-2-pyridinyl]ethanone
CID 106202175
1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethanone
CID 83119183
1-[5-(4-ethoxyphenoxy)-2-pyridinyl]ethanone
CID 83119038
1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone
CID 83119787
1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethanone
CID 83119686

Frequently Asked Questions

What is the IUPAC name of 1-(5-but-3-ynoxy-2-pyridinyl)ethanone?
The IUPAC name of 1-(5-but-3-ynoxy-2-pyridinyl)ethanone (CID 106795026) is 1-(5-but-3-ynoxy-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(5-but-3-ynoxy-2-pyridinyl)ethanone?
The canonical SMILES for 1-(5-but-3-ynoxy-2-pyridinyl)ethanone is C#CCCOc1ccc(C(C)=O)nc1.
What is the InChIKey of 1-(5-but-3-ynoxy-2-pyridinyl)ethanone?
The InChIKey is KJPLRIIBBNCJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-3-4-7-14-10-5-6-11(9(2)13)12-8-10/h1,5-6,8H,4,7H2,2H3.
What are the key properties of 1-(5-but-3-ynoxy-2-pyridinyl)ethanone?
1-(5-but-3-ynoxy-2-pyridinyl)ethanone has a molecular weight of 189.21 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-but-3-ynoxy-2-pyridinyl)ethanone is sourced from PubChem (CID 106795026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).