3-thiophen-2-yl-1H-pyrrole-2-carboxylic acid

C9H7NO2S — CID 131518059

IUPAC3-thiophen-2-yl-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1[nH]ccc1-c1cccs1
InChIInChI=1S/C9H7NO2S/c11-9(12)8-6(3-4-10-8)7-2-1-5-13-7/h1-5,10H,(H,11,12)
InChIKeyDYSZKZZEXKKFSM-UHFFFAOYSA-N
MW193.23 g/mol
LogP2.44
Rot. Bonds2

About 3-thiophen-2-yl-1H-pyrrole-2-carboxylic acid

3-thiophen-2-yl-1H-pyrrole-2-carboxylic acid (PubChem CID 131518059) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is 3-thiophen-2-yl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-thiophen-2-yl-1H-pyrrole-2-carboxylic acid
PubChem CID131518059
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Name3-thiophen-2-yl-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1[nH]ccc1-c1cccs1
InChIInChI=1S/C9H7NO2S/c11-9(12)8-6(3-4-10-8)7-2-1-5-13-7/h1-5,10H,(H,11,12)
InChIKeyDYSZKZZEXKKFSM-UHFFFAOYSA-N
XLogP2.44
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3-thiophen-2-yl-1H-pyrrole-2-carboxylic acid (CID 131518059) is 3-thiophen-2-yl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-thiophen-2-yl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3-thiophen-2-yl-1H-pyrrole-2-carboxylic acid is O=C(O)c1[nH]ccc1-c1cccs1.
What is the InChIKey of 3-thiophen-2-yl-1H-pyrrole-2-carboxylic acid?
The InChIKey is DYSZKZZEXKKFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S/c11-9(12)8-6(3-4-10-8)7-2-1-5-13-7/h1-5,10H,(H,11,12).
What are the key properties of 3-thiophen-2-yl-1H-pyrrole-2-carboxylic acid?
3-thiophen-2-yl-1H-pyrrole-2-carboxylic acid has a molecular weight of 193.23 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 131518059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).