2-(3-cyclobutyl-2-pyridinyl)acetate

C11H12NO2- — CID 171145293

IUPAC2-(3-cyclobutyl-2-pyridinyl)acetate
SMILESO=C([O-])Cc1ncccc1C1CCC1
InChIInChI=1S/C11H13NO2/c13-11(14)7-10-9(5-2-6-12-10)8-3-1-4-8/h2,5-6,8H,1,3-4,7H2,(H,13,14)/p-1
InChIKeyKVGFRSJVNNNHBK-UHFFFAOYSA-M
MW190.22 g/mol
LogP0.64
Rot. Bonds3

About 2-(3-cyclobutyl-2-pyridinyl)acetate

2-(3-cyclobutyl-2-pyridinyl)acetate (PubChem CID 171145293) has the molecular formula C11H12NO2- and a molecular weight of 190.22 g/mol. Its IUPAC name is 2-(3-cyclobutyl-2-pyridinyl)acetate.

Molecular Properties

Compound Name2-(3-cyclobutyl-2-pyridinyl)acetate
PubChem CID171145293
Molecular FormulaC11H12NO2-
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name2-(3-cyclobutyl-2-pyridinyl)acetate
SMILESO=C([O-])Cc1ncccc1C1CCC1
InChIInChI=1S/C11H13NO2/c13-11(14)7-10-9(5-2-6-12-10)8-3-1-4-8/h2,5-6,8H,1,3-4,7H2,(H,13,14)/p-1
InChIKeyKVGFRSJVNNNHBK-UHFFFAOYSA-M
XLogP0.64
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutyl-2-pyridinyl)acetate?
The IUPAC name of 2-(3-cyclobutyl-2-pyridinyl)acetate (CID 171145293) is 2-(3-cyclobutyl-2-pyridinyl)acetate.
What is the SMILES notation for 2-(3-cyclobutyl-2-pyridinyl)acetate?
The canonical SMILES for 2-(3-cyclobutyl-2-pyridinyl)acetate is O=C([O-])Cc1ncccc1C1CCC1.
What is the InChIKey of 2-(3-cyclobutyl-2-pyridinyl)acetate?
The InChIKey is KVGFRSJVNNNHBK-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H13NO2/c13-11(14)7-10-9(5-2-6-12-10)8-3-1-4-8/h2,5-6,8H,1,3-4,7H2,(H,13,14)/p-1.
What are the key properties of 2-(3-cyclobutyl-2-pyridinyl)acetate?
2-(3-cyclobutyl-2-pyridinyl)acetate has a molecular weight of 190.22 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclobutyl-2-pyridinyl)acetate is sourced from PubChem (CID 171145293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).