1-[3-oxo-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propyl]pyrrolidine-2,5-dione

C15H18N2O3S — CID 94799365

IUPAC1-[3-oxo-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCC(=O)N1CCC[C@H]1c1cccs1
InChIInChI=1S/C15H18N2O3S/c18-13-5-6-14(19)17(13)9-7-15(20)16-8-1-3-11(16)12-4-2-10-21-12/h2,4,10-11H,1,3,5-9H2/t11-/m0/s1
InChIKeyCUTXXHLOZNFHPX-NSHDSACASA-N
MW306.39 g/mol
LogP1.95
Rot. Bonds4

About 1-[3-oxo-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propyl]pyrrolidine-2,5-dione

1-[3-oxo-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propyl]pyrrolidine-2,5-dione (PubChem CID 94799365) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-[3-oxo-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-oxo-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propyl]pyrrolidine-2,5-dione
PubChem CID94799365
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name1-[3-oxo-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCC(=O)N1CCC[C@H]1c1cccs1
InChIInChI=1S/C15H18N2O3S/c18-13-5-6-14(19)17(13)9-7-15(20)16-8-1-3-11(16)12-4-2-10-21-12/h2,4,10-11H,1,3,5-9H2/t11-/m0/s1
InChIKeyCUTXXHLOZNFHPX-NSHDSACASA-N
XLogP1.95
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-oxo-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propyl]pyrrolidine-2,5-dione with MolForge

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Related Compounds

4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one
CID 60937933
ethyl 4-oxo-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]butanoate
CID 95358126
ethyl 4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)butanoate
CID 60637327
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 94871156
1-cyclopropyl-3-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 87022684
5-bromo-2-[4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)butyl]isoindole-1,3-dione
CID 55377124
2-[(2-methylpropan-2-yl)oxy]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 112604716
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480
2-(2-iodophenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 43075476
3-(5-phenylfuran-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one
CID 41103665
2-(1-aminocyclobutyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 79853993
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 62039896

Frequently Asked Questions

What is the IUPAC name of 1-[3-oxo-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-oxo-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propyl]pyrrolidine-2,5-dione (CID 94799365) is 1-[3-oxo-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-oxo-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-oxo-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCC(=O)N1CCC[C@H]1c1cccs1.
What is the InChIKey of 1-[3-oxo-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propyl]pyrrolidine-2,5-dione?
The InChIKey is CUTXXHLOZNFHPX-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N2O3S/c18-13-5-6-14(19)17(13)9-7-15(20)16-8-1-3-11(16)12-4-2-10-21-12/h2,4,10-11H,1,3,5-9H2/t11-/m0/s1.
What are the key properties of 1-[3-oxo-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propyl]pyrrolidine-2,5-dione?
1-[3-oxo-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propyl]pyrrolidine-2,5-dione has a molecular weight of 306.39 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-oxo-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 94799365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).