1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid

C10H9NO2S — CID 19995183

IUPAC1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1Cc1cccs1
InChIInChI=1S/C10H9NO2S/c12-10(13)9-4-1-5-11(9)7-8-3-2-6-14-8/h1-6H,7H2,(H,12,13)
InChIKeyONXQVRCIJMWQJR-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.30
Rot. Bonds3

About 1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid

1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid (PubChem CID 19995183) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid
PubChem CID19995183
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1Cc1cccs1
InChIInChI=1S/C10H9NO2S/c12-10(13)9-4-1-5-11(9)7-8-3-2-6-14-8/h1-6H,7H2,(H,12,13)
InChIKeyONXQVRCIJMWQJR-UHFFFAOYSA-N
XLogP2.30
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid (CID 19995183) is 1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid is O=C(O)c1cccn1Cc1cccs1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid?
The InChIKey is ONXQVRCIJMWQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c12-10(13)9-4-1-5-11(9)7-8-3-2-6-14-8/h1-6H,7H2,(H,12,13).
What are the key properties of 1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid?
1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid has a molecular weight of 207.25 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 19995183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).