ethyl 3-cyclobutylthiophene-2-carboxylate

C11H14O2S — CID 165454275

IUPACethyl 3-cyclobutylthiophene-2-carboxylate
SMILESCCOC(=O)c1sccc1C1CCC1
InChIInChI=1S/C11H14O2S/c1-2-13-11(12)10-9(6-7-14-10)8-4-3-5-8/h6-8H,2-5H2,1H3
InChIKeyILEKPJUDLNXTGW-UHFFFAOYSA-N
MW210.30 g/mol
LogP3.19
Rot. Bonds3

About ethyl 3-cyclobutylthiophene-2-carboxylate

ethyl 3-cyclobutylthiophene-2-carboxylate (PubChem CID 165454275) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is ethyl 3-cyclobutylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyclobutylthiophene-2-carboxylate
PubChem CID165454275
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Nameethyl 3-cyclobutylthiophene-2-carboxylate
SMILESCCOC(=O)c1sccc1C1CCC1
InChIInChI=1S/C11H14O2S/c1-2-13-11(12)10-9(6-7-14-10)8-4-3-5-8/h6-8H,2-5H2,1H3
InChIKeyILEKPJUDLNXTGW-UHFFFAOYSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclobutylthiophene-2-carboxylate?
The IUPAC name of ethyl 3-cyclobutylthiophene-2-carboxylate (CID 165454275) is ethyl 3-cyclobutylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-cyclobutylthiophene-2-carboxylate?
The canonical SMILES for ethyl 3-cyclobutylthiophene-2-carboxylate is CCOC(=O)c1sccc1C1CCC1.
What is the InChIKey of ethyl 3-cyclobutylthiophene-2-carboxylate?
The InChIKey is ILEKPJUDLNXTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-2-13-11(12)10-9(6-7-14-10)8-4-3-5-8/h6-8H,2-5H2,1H3.
What are the key properties of ethyl 3-cyclobutylthiophene-2-carboxylate?
ethyl 3-cyclobutylthiophene-2-carboxylate has a molecular weight of 210.30 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclobutylthiophene-2-carboxylate is sourced from PubChem (CID 165454275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).