3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine-2,5-dione

C11H13NO2S — CID 13455290

IUPAC3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCc2cccs2)C1=O
InChIInChI=1S/C11H13NO2S/c1-8-7-10(13)12(11(8)14)5-4-9-3-2-6-15-9/h2-3,6,8H,4-5,7H2,1H3
InChIKeyKATHVMJNINQBMM-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.69
Rot. Bonds3

About 3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine-2,5-dione

3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine-2,5-dione (PubChem CID 13455290) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine-2,5-dione
PubChem CID13455290
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCc2cccs2)C1=O
InChIInChI=1S/C11H13NO2S/c1-8-7-10(13)12(11(8)14)5-4-9-3-2-6-15-9/h2-3,6,8H,4-5,7H2,1H3
InChIKeyKATHVMJNINQBMM-UHFFFAOYSA-N
XLogP1.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.69
H-Bond Donors ≤ 50
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-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine-2,5-dione (CID 13455290) is 3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine-2,5-dione is CC1CC(=O)N(CCc2cccs2)C1=O.
What is the InChIKey of 3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine-2,5-dione?
The InChIKey is KATHVMJNINQBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-8-7-10(13)12(11(8)14)5-4-9-3-2-6-15-9/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of 3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine-2,5-dione?
3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine-2,5-dione has a molecular weight of 223.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 13455290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).