1-(2-pyridin-3-ylethynyl)cyclobutan-1-ol

C11H11NO — CID 125478076

IUPAC1-(2-pyridin-3-ylethynyl)cyclobutan-1-ol
SMILESOC1(C#Cc2cccnc2)CCC1
InChIInChI=1S/C11H11NO/c13-11(5-2-6-11)7-4-10-3-1-8-12-9-10/h1,3,8-9,13H,2,5-6H2
InChIKeyOWEYLDFHSRGTKH-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.35
Rot. Bonds

About 1-(2-pyridin-3-ylethynyl)cyclobutan-1-ol

1-(2-pyridin-3-ylethynyl)cyclobutan-1-ol (PubChem CID 125478076) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-(2-pyridin-3-ylethynyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(2-pyridin-3-ylethynyl)cyclobutan-1-ol
PubChem CID125478076
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name1-(2-pyridin-3-ylethynyl)cyclobutan-1-ol
SMILESOC1(C#Cc2cccnc2)CCC1
InChIInChI=1S/C11H11NO/c13-11(5-2-6-11)7-4-10-3-1-8-12-9-10/h1,3,8-9,13H,2,5-6H2
InChIKeyOWEYLDFHSRGTKH-UHFFFAOYSA-N
XLogP1.35
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-3-ylethynyl)cyclobutan-1-ol?
The IUPAC name of 1-(2-pyridin-3-ylethynyl)cyclobutan-1-ol (CID 125478076) is 1-(2-pyridin-3-ylethynyl)cyclobutan-1-ol.
What is the SMILES notation for 1-(2-pyridin-3-ylethynyl)cyclobutan-1-ol?
The canonical SMILES for 1-(2-pyridin-3-ylethynyl)cyclobutan-1-ol is OC1(C#Cc2cccnc2)CCC1.
What is the InChIKey of 1-(2-pyridin-3-ylethynyl)cyclobutan-1-ol?
The InChIKey is OWEYLDFHSRGTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c13-11(5-2-6-11)7-4-10-3-1-8-12-9-10/h1,3,8-9,13H,2,5-6H2.
What are the key properties of 1-(2-pyridin-3-ylethynyl)cyclobutan-1-ol?
1-(2-pyridin-3-ylethynyl)cyclobutan-1-ol has a molecular weight of 173.22 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-3-ylethynyl)cyclobutan-1-ol is sourced from PubChem (CID 125478076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).