1-(2-thiophen-2-ylethyl)pyrrole-2,5-dione

C10H9NO2S — CID 2732264

IUPAC1-(2-thiophen-2-ylethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCc1cccs1
InChIInChI=1S/C10H9NO2S/c12-9-3-4-10(13)11(9)6-5-8-2-1-7-14-8/h1-4,7H,5-6H2
InChIKeyMQYSATPQVZDKMW-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.22
Rot. Bonds3

About 1-(2-thiophen-2-ylethyl)pyrrole-2,5-dione

1-(2-thiophen-2-ylethyl)pyrrole-2,5-dione (PubChem CID 2732264) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(2-thiophen-2-ylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-thiophen-2-ylethyl)pyrrole-2,5-dione
PubChem CID2732264
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name1-(2-thiophen-2-ylethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCc1cccs1
InChIInChI=1S/C10H9NO2S/c12-9-3-4-10(13)11(9)6-5-8-2-1-7-14-8/h1-4,7H,5-6H2
InChIKeyMQYSATPQVZDKMW-UHFFFAOYSA-N
XLogP1.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-(2-thiophen-2-ylethyl)pyrrole-2,5-dione 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 1-(2-thiophen-2-ylethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-thiophen-2-ylethyl)pyrrole-2,5-dione (CID 2732264) is 1-(2-thiophen-2-ylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-thiophen-2-ylethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-thiophen-2-ylethyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1CCc1cccs1.
What is the InChIKey of 1-(2-thiophen-2-ylethyl)pyrrole-2,5-dione?
The InChIKey is MQYSATPQVZDKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c12-9-3-4-10(13)11(9)6-5-8-2-1-7-14-8/h1-4,7H,5-6H2.
What are the key properties of 1-(2-thiophen-2-ylethyl)pyrrole-2,5-dione?
1-(2-thiophen-2-ylethyl)pyrrole-2,5-dione has a molecular weight of 207.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiophen-2-ylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 2732264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).