3-ethyl-5-pyrrolidin-1-ylthiophene-2-carboxylic acid

C11H15NO2S — CID 69362691

IUPAC3-ethyl-5-pyrrolidin-1-ylthiophene-2-carboxylic acid
SMILESCCc1cc(N2CCCC2)sc1C(=O)O
InChIInChI=1S/C11H15NO2S/c1-2-8-7-9(12-5-3-4-6-12)15-10(8)11(13)14/h7H,2-6H2,1H3,(H,13,14)
InChIKeyCCAOTRYTOLJXGN-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.61
Rot. Bonds3

About 3-ethyl-5-pyrrolidin-1-ylthiophene-2-carboxylic acid

3-ethyl-5-pyrrolidin-1-ylthiophene-2-carboxylic acid (PubChem CID 69362691) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-ethyl-5-pyrrolidin-1-ylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-5-pyrrolidin-1-ylthiophene-2-carboxylic acid
PubChem CID69362691
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name3-ethyl-5-pyrrolidin-1-ylthiophene-2-carboxylic acid
SMILESCCc1cc(N2CCCC2)sc1C(=O)O
InChIInChI=1S/C11H15NO2S/c1-2-8-7-9(12-5-3-4-6-12)15-10(8)11(13)14/h7H,2-6H2,1H3,(H,13,14)
InChIKeyCCAOTRYTOLJXGN-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-pyrrolidin-1-ylthiophene-2-carboxylic acid?
The IUPAC name of 3-ethyl-5-pyrrolidin-1-ylthiophene-2-carboxylic acid (CID 69362691) is 3-ethyl-5-pyrrolidin-1-ylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-ethyl-5-pyrrolidin-1-ylthiophene-2-carboxylic acid?
The canonical SMILES for 3-ethyl-5-pyrrolidin-1-ylthiophene-2-carboxylic acid is CCc1cc(N2CCCC2)sc1C(=O)O.
What is the InChIKey of 3-ethyl-5-pyrrolidin-1-ylthiophene-2-carboxylic acid?
The InChIKey is CCAOTRYTOLJXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-2-8-7-9(12-5-3-4-6-12)15-10(8)11(13)14/h7H,2-6H2,1H3,(H,13,14).
What are the key properties of 3-ethyl-5-pyrrolidin-1-ylthiophene-2-carboxylic acid?
3-ethyl-5-pyrrolidin-1-ylthiophene-2-carboxylic acid has a molecular weight of 225.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-pyrrolidin-1-ylthiophene-2-carboxylic acid is sourced from PubChem (CID 69362691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).