3-thiophen-2-ylpyrrolidine-2,5-dione

C8H7NO2S — CID 67512850

IUPAC3-thiophen-2-ylpyrrolidine-2,5-dione
SMILESO=C1CC(c2cccs2)C(=O)N1
InChIInChI=1S/C8H7NO2S/c10-7-4-5(8(11)9-7)6-2-1-3-12-6/h1-3,5H,4H2,(H,9,10,11)
InChIKeyMBPFGBGIBOLTMA-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.88
Rot. Bonds1

About 3-thiophen-2-ylpyrrolidine-2,5-dione

3-thiophen-2-ylpyrrolidine-2,5-dione (PubChem CID 67512850) has the molecular formula C8H7NO2S and a molecular weight of 181.22 g/mol. Its IUPAC name is 3-thiophen-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-thiophen-2-ylpyrrolidine-2,5-dione
PubChem CID67512850
Molecular FormulaC8H7NO2S
Molecular Weight181.22 g/mol
Exact Mass181.02
IUPAC Name3-thiophen-2-ylpyrrolidine-2,5-dione
SMILESO=C1CC(c2cccs2)C(=O)N1
InChIInChI=1S/C8H7NO2S/c10-7-4-5(8(11)9-7)6-2-1-3-12-6/h1-3,5H,4H2,(H,9,10,11)
InChIKeyMBPFGBGIBOLTMA-UHFFFAOYSA-N
XLogP0.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-thiophen-2-ylpyrrolidine-2,5-dione (CID 67512850) is 3-thiophen-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-thiophen-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-thiophen-2-ylpyrrolidine-2,5-dione is O=C1CC(c2cccs2)C(=O)N1.
What is the InChIKey of 3-thiophen-2-ylpyrrolidine-2,5-dione?
The InChIKey is MBPFGBGIBOLTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S/c10-7-4-5(8(11)9-7)6-2-1-3-12-6/h1-3,5H,4H2,(H,9,10,11).
What are the key properties of 3-thiophen-2-ylpyrrolidine-2,5-dione?
3-thiophen-2-ylpyrrolidine-2,5-dione has a molecular weight of 181.22 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 67512850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).