3-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione

C9H9NO2S — CID 110457707

IUPAC3-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2cccs2)C(=O)N1
InChIInChI=1S/C9H9NO2S/c11-8-5-6(9(12)10-8)4-7-2-1-3-13-7/h1-3,6H,4-5H2,(H,10,11,12)
InChIKeyCMTQCVIZKKUEOU-UHFFFAOYSA-N
MW195.24 g/mol
LogP0.95
Rot. Bonds2

About 3-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione

3-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione (PubChem CID 110457707) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
PubChem CID110457707
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name3-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2cccs2)C(=O)N1
InChIInChI=1S/C9H9NO2S/c11-8-5-6(9(12)10-8)4-7-2-1-3-13-7/h1-3,6H,4-5H2,(H,10,11,12)
InChIKeyCMTQCVIZKKUEOU-UHFFFAOYSA-N
XLogP0.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 50.95
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-ylmethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione (CID 110457707) is 3-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione is O=C1CC(Cc2cccs2)C(=O)N1.
What is the InChIKey of 3-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione?
The InChIKey is CMTQCVIZKKUEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c11-8-5-6(9(12)10-8)4-7-2-1-3-13-7/h1-3,6H,4-5H2,(H,10,11,12).
What are the key properties of 3-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione?
3-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione has a molecular weight of 195.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 110457707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).