3-pyrrol-1-ylthiophene-2-carboxylic acid

C9H7NO2S — CID 2776534

IUPAC3-pyrrol-1-ylthiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1-n1cccc1
InChIInChI=1S/C9H7NO2S/c11-9(12)8-7(3-6-13-8)10-4-1-2-5-10/h1-6H,(H,11,12)
InChIKeyWSCYUZJLJQNLSQ-UHFFFAOYSA-N
MW193.23 g/mol
LogP2.24
Rot. Bonds2

About 3-pyrrol-1-ylthiophene-2-carboxylic acid

3-pyrrol-1-ylthiophene-2-carboxylic acid (PubChem CID 2776534) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is 3-pyrrol-1-ylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-pyrrol-1-ylthiophene-2-carboxylic acid
PubChem CID2776534
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Name3-pyrrol-1-ylthiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1-n1cccc1
InChIInChI=1S/C9H7NO2S/c11-9(12)8-7(3-6-13-8)10-4-1-2-5-10/h1-6H,(H,11,12)
InChIKeyWSCYUZJLJQNLSQ-UHFFFAOYSA-N
XLogP2.24
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrol-1-ylthiophene-2-carboxylic acid?
The IUPAC name of 3-pyrrol-1-ylthiophene-2-carboxylic acid (CID 2776534) is 3-pyrrol-1-ylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-pyrrol-1-ylthiophene-2-carboxylic acid?
The canonical SMILES for 3-pyrrol-1-ylthiophene-2-carboxylic acid is O=C(O)c1sccc1-n1cccc1.
What is the InChIKey of 3-pyrrol-1-ylthiophene-2-carboxylic acid?
The InChIKey is WSCYUZJLJQNLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S/c11-9(12)8-7(3-6-13-8)10-4-1-2-5-10/h1-6H,(H,11,12).
What are the key properties of 3-pyrrol-1-ylthiophene-2-carboxylic acid?
3-pyrrol-1-ylthiophene-2-carboxylic acid has a molecular weight of 193.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrol-1-ylthiophene-2-carboxylic acid is sourced from PubChem (CID 2776534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).