1-cyclopropyl-3-(thiophen-3-ylamino)pyrrolidine-2,5-dione

C11H12N2O2S — CID 66349722

IUPAC1-cyclopropyl-3-(thiophen-3-ylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccsc2)C(=O)N1C1CC1
InChIInChI=1S/C11H12N2O2S/c14-10-5-9(12-7-3-4-16-6-7)11(15)13(10)8-1-2-8/h3-4,6,8-9,12H,1-2,5H2
InChIKeyRWRNJENKIFNLLF-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.45
Rot. Bonds3

About 1-cyclopropyl-3-(thiophen-3-ylamino)pyrrolidine-2,5-dione

1-cyclopropyl-3-(thiophen-3-ylamino)pyrrolidine-2,5-dione (PubChem CID 66349722) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-(thiophen-3-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-(thiophen-3-ylamino)pyrrolidine-2,5-dione
PubChem CID66349722
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name1-cyclopropyl-3-(thiophen-3-ylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccsc2)C(=O)N1C1CC1
InChIInChI=1S/C11H12N2O2S/c14-10-5-9(12-7-3-4-16-6-7)11(15)13(10)8-1-2-8/h3-4,6,8-9,12H,1-2,5H2
InChIKeyRWRNJENKIFNLLF-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(thiophen-3-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopropyl-3-(thiophen-3-ylamino)pyrrolidine-2,5-dione (CID 66349722) is 1-cyclopropyl-3-(thiophen-3-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopropyl-3-(thiophen-3-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopropyl-3-(thiophen-3-ylamino)pyrrolidine-2,5-dione is O=C1CC(Nc2ccsc2)C(=O)N1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(thiophen-3-ylamino)pyrrolidine-2,5-dione?
The InChIKey is RWRNJENKIFNLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c14-10-5-9(12-7-3-4-16-6-7)11(15)13(10)8-1-2-8/h3-4,6,8-9,12H,1-2,5H2.
What are the key properties of 1-cyclopropyl-3-(thiophen-3-ylamino)pyrrolidine-2,5-dione?
1-cyclopropyl-3-(thiophen-3-ylamino)pyrrolidine-2,5-dione has a molecular weight of 236.30 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(thiophen-3-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 66349722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).