5-pyrrolidin-2-ylthiophene-2-carboxylic acid;hydrochloride

C9H12ClNO2S — CID 47000651

IUPAC5-pyrrolidin-2-ylthiophene-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(C2CCCN2)s1
InChIInChI=1S/C9H11NO2S.ClH/c11-9(12)8-4-3-7(13-8)6-2-1-5-10-6;/h3-4,6,10H,1-2,5H2,(H,11,12);1H
InChIKeyIEANRMCTQVCJQB-UHFFFAOYSA-N
MW233.72 g/mol
LogP2.29
Rot. Bonds2

About 5-pyrrolidin-2-ylthiophene-2-carboxylic acid;hydrochloride

5-pyrrolidin-2-ylthiophene-2-carboxylic acid;hydrochloride (PubChem CID 47000651) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is 5-pyrrolidin-2-ylthiophene-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-pyrrolidin-2-ylthiophene-2-carboxylic acid;hydrochloride
PubChem CID47000651
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC Name5-pyrrolidin-2-ylthiophene-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(C2CCCN2)s1
InChIInChI=1S/C9H11NO2S.ClH/c11-9(12)8-4-3-7(13-8)6-2-1-5-10-6;/h3-4,6,10H,1-2,5H2,(H,11,12);1H
InChIKeyIEANRMCTQVCJQB-UHFFFAOYSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-2-ylthiophene-2-carboxylic acid;hydrochloride?
The IUPAC name of 5-pyrrolidin-2-ylthiophene-2-carboxylic acid;hydrochloride (CID 47000651) is 5-pyrrolidin-2-ylthiophene-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-pyrrolidin-2-ylthiophene-2-carboxylic acid;hydrochloride?
The canonical SMILES for 5-pyrrolidin-2-ylthiophene-2-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccc(C2CCCN2)s1.
What is the InChIKey of 5-pyrrolidin-2-ylthiophene-2-carboxylic acid;hydrochloride?
The InChIKey is IEANRMCTQVCJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S.ClH/c11-9(12)8-4-3-7(13-8)6-2-1-5-10-6;/h3-4,6,10H,1-2,5H2,(H,11,12);1H.
What are the key properties of 5-pyrrolidin-2-ylthiophene-2-carboxylic acid;hydrochloride?
5-pyrrolidin-2-ylthiophene-2-carboxylic acid;hydrochloride has a molecular weight of 233.72 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-2-ylthiophene-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 47000651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).