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

C10H11NO2S — CID 62841900

IUPAC1-(1-thiophen-3-ylethyl)pyrrolidine-2,3-dione
SMILESCC(c1ccsc1)N1CCC(=O)C1=O
InChIInChI=1S/C10H11NO2S/c1-7(8-3-5-14-6-8)11-4-2-9(12)10(11)13/h3,5-7H,2,4H2,1H3
InChIKeyKGNJYKCYRLZDRN-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.61
Rot. Bonds2

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

1-(1-thiophen-3-ylethyl)pyrrolidine-2,3-dione (PubChem CID 62841900) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 1-(1-thiophen-3-ylethyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-(1-thiophen-3-ylethyl)pyrrolidine-2,3-dione
PubChem CID62841900
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name1-(1-thiophen-3-ylethyl)pyrrolidine-2,3-dione
SMILESCC(c1ccsc1)N1CCC(=O)C1=O
InChIInChI=1S/C10H11NO2S/c1-7(8-3-5-14-6-8)11-4-2-9(12)10(11)13/h3,5-7H,2,4H2,1H3
InChIKeyKGNJYKCYRLZDRN-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64969673
1-(1-thiophen-3-ylethyl)piperidin-2-imine
CID 62842256
9-(1-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64969579
3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine
CID 64954383
5-methyl-2-(1-thiophen-3-ylethyl)-4H-pyrazol-3-one
CID 86106923
1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride
CID 171280726
3-(dimethyl-λ4-sulfanylidene)-1-[(1R)-1-phenylethyl]piperidine-2,4-dione
CID 101467983
1-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 62089674
1-hexan-2-ylpyrrolidine-2,3-dione
CID 62200791
3-ethyl-3-methyl-1-(1-thiophen-3-ylethyl)piperazine
CID 64953980
2-(1-thiophen-3-ylethyl)cyclohexan-1-one
CID 135025277
3-propan-2-yl-2-(1-thiophen-3-ylethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79923833

Frequently Asked Questions

What is the IUPAC name of 1-(1-thiophen-3-ylethyl)pyrrolidine-2,3-dione?
The IUPAC name of 1-(1-thiophen-3-ylethyl)pyrrolidine-2,3-dione (CID 62841900) is 1-(1-thiophen-3-ylethyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 1-(1-thiophen-3-ylethyl)pyrrolidine-2,3-dione?
The canonical SMILES for 1-(1-thiophen-3-ylethyl)pyrrolidine-2,3-dione is CC(c1ccsc1)N1CCC(=O)C1=O.
What is the InChIKey of 1-(1-thiophen-3-ylethyl)pyrrolidine-2,3-dione?
The InChIKey is KGNJYKCYRLZDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-7(8-3-5-14-6-8)11-4-2-9(12)10(11)13/h3,5-7H,2,4H2,1H3.
What are the key properties of 1-(1-thiophen-3-ylethyl)pyrrolidine-2,3-dione?
1-(1-thiophen-3-ylethyl)pyrrolidine-2,3-dione has a molecular weight of 209.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-thiophen-3-ylethyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 62841900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).