2-(2-thiophen-2-ylethenyl)-1H-pyrrole

C10H9NS — CID 4197713

IUPAC2-(2-thiophen-2-ylethenyl)-1H-pyrrole
SMILESC(=Cc1cccs1)c1ccc[nH]1
InChIInChI=1S/C10H9NS/c1-3-9(11-7-1)5-6-10-4-2-8-12-10/h1-8,11H
InChIKeyZSNZVAHMWATYPV-UHFFFAOYSA-N
MW175.26 g/mol
LogP3.25
Rot. Bonds2

About 2-(2-thiophen-2-ylethenyl)-1H-pyrrole

2-(2-thiophen-2-ylethenyl)-1H-pyrrole (PubChem CID 4197713) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylethenyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(2-thiophen-2-ylethenyl)-1H-pyrrole
PubChem CID4197713
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name2-(2-thiophen-2-ylethenyl)-1H-pyrrole
SMILESC(=Cc1cccs1)c1ccc[nH]1
InChIInChI=1S/C10H9NS/c1-3-9(11-7-1)5-6-10-4-2-8-12-10/h1-8,11H
InChIKeyZSNZVAHMWATYPV-UHFFFAOYSA-N
XLogP3.25
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-thiophen-2-ylethenyl)-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylethenyl)-1H-pyrrole?
The IUPAC name of 2-(2-thiophen-2-ylethenyl)-1H-pyrrole (CID 4197713) is 2-(2-thiophen-2-ylethenyl)-1H-pyrrole.
What is the SMILES notation for 2-(2-thiophen-2-ylethenyl)-1H-pyrrole?
The canonical SMILES for 2-(2-thiophen-2-ylethenyl)-1H-pyrrole is C(=Cc1cccs1)c1ccc[nH]1.
What is the InChIKey of 2-(2-thiophen-2-ylethenyl)-1H-pyrrole?
The InChIKey is ZSNZVAHMWATYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c1-3-9(11-7-1)5-6-10-4-2-8-12-10/h1-8,11H.
What are the key properties of 2-(2-thiophen-2-ylethenyl)-1H-pyrrole?
2-(2-thiophen-2-ylethenyl)-1H-pyrrole has a molecular weight of 175.26 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylethenyl)-1H-pyrrole is sourced from PubChem (CID 4197713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).