(6-ethenyl-2-pyridinyl) cyclopropanecarboxylate

C11H11NO2 — CID 164570668

IUPAC(6-ethenyl-2-pyridinyl) cyclopropanecarboxylate
SMILESC=Cc1cccc(OC(=O)C2CC2)n1
InChIInChI=1S/C11H11NO2/c1-2-9-4-3-5-10(12-9)14-11(13)8-6-7-8/h2-5,8H,1,6-7H2
InChIKeyXPWGSOFRXMBZLH-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.04
Rot. Bonds3

About (6-ethenyl-2-pyridinyl) cyclopropanecarboxylate

(6-ethenyl-2-pyridinyl) cyclopropanecarboxylate (PubChem CID 164570668) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (6-ethenyl-2-pyridinyl) cyclopropanecarboxylate.

Molecular Properties

Compound Name(6-ethenyl-2-pyridinyl) cyclopropanecarboxylate
PubChem CID164570668
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(6-ethenyl-2-pyridinyl) cyclopropanecarboxylate
SMILESC=Cc1cccc(OC(=O)C2CC2)n1
InChIInChI=1S/C11H11NO2/c1-2-9-4-3-5-10(12-9)14-11(13)8-6-7-8/h2-5,8H,1,6-7H2
InChIKeyXPWGSOFRXMBZLH-UHFFFAOYSA-N
XLogP2.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-ethenyl-2-pyridinyl) cyclopropanecarboxylate?
The IUPAC name of (6-ethenyl-2-pyridinyl) cyclopropanecarboxylate (CID 164570668) is (6-ethenyl-2-pyridinyl) cyclopropanecarboxylate.
What is the SMILES notation for (6-ethenyl-2-pyridinyl) cyclopropanecarboxylate?
The canonical SMILES for (6-ethenyl-2-pyridinyl) cyclopropanecarboxylate is C=Cc1cccc(OC(=O)C2CC2)n1.
What is the InChIKey of (6-ethenyl-2-pyridinyl) cyclopropanecarboxylate?
The InChIKey is XPWGSOFRXMBZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-9-4-3-5-10(12-9)14-11(13)8-6-7-8/h2-5,8H,1,6-7H2.
What are the key properties of (6-ethenyl-2-pyridinyl) cyclopropanecarboxylate?
(6-ethenyl-2-pyridinyl) cyclopropanecarboxylate has a molecular weight of 189.21 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethenyl-2-pyridinyl) cyclopropanecarboxylate is sourced from PubChem (CID 164570668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).