1-hydroxy-3-thiophen-2-ylpyrrolidine-2,5-dione

C8H7NO3S — CID 150934673

IUPAC1-hydroxy-3-thiophen-2-ylpyrrolidine-2,5-dione
SMILESO=C1CC(c2cccs2)C(=O)N1O
InChIInChI=1S/C8H7NO3S/c10-7-4-5(8(11)9(7)12)6-2-1-3-13-6/h1-3,5,12H,4H2
InChIKeyLGTREGPLZJITNF-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.98
Rot. Bonds1

About 1-hydroxy-3-thiophen-2-ylpyrrolidine-2,5-dione

1-hydroxy-3-thiophen-2-ylpyrrolidine-2,5-dione (PubChem CID 150934673) has the molecular formula C8H7NO3S and a molecular weight of 197.22 g/mol. Its IUPAC name is 1-hydroxy-3-thiophen-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-hydroxy-3-thiophen-2-ylpyrrolidine-2,5-dione
PubChem CID150934673
Molecular FormulaC8H7NO3S
Molecular Weight197.22 g/mol
Exact Mass197.01
IUPAC Name1-hydroxy-3-thiophen-2-ylpyrrolidine-2,5-dione
SMILESO=C1CC(c2cccs2)C(=O)N1O
InChIInChI=1S/C8H7NO3S/c10-7-4-5(8(11)9(7)12)6-2-1-3-13-6/h1-3,5,12H,4H2
InChIKeyLGTREGPLZJITNF-UHFFFAOYSA-N
XLogP0.98
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-thiophen-2-ylpyrrolidine-2,5-dione
CID 67512850
3-thiophen-2-yloxolan-2-one
CID 142704105
1-(4-hydroxyphenyl)-4-thiophen-2-ylazetidin-2-one
CID 15496310
1,4-dithiophen-2-yl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrrole-3,6-dione
CID 77153151
3-(2-hydroxyethyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 3447830
7-hydroxy-4-thiophen-2-yl-3,4-dihydrochromen-2-one
CID 20570530
2-[methyl-(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 119172352
2-[methyl-[(2S,3R)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]amino]acetic acid
CID 125154369
(2S,3R)-5-oxo-2-thiophen-2-yloxolane-3-carboxylic acid
CID 97034968
(2S,3S)-5-oxo-2-thiophen-2-yloxolane-3-carboxylic acid
CID 97034970
(2S)-3-[3-[(2S)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]propyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 10093008
2-thiophen-2-ylpiperidine-1-carbaldehyde
CID 12870953

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-thiophen-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-hydroxy-3-thiophen-2-ylpyrrolidine-2,5-dione (CID 150934673) is 1-hydroxy-3-thiophen-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-hydroxy-3-thiophen-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-hydroxy-3-thiophen-2-ylpyrrolidine-2,5-dione is O=C1CC(c2cccs2)C(=O)N1O.
What is the InChIKey of 1-hydroxy-3-thiophen-2-ylpyrrolidine-2,5-dione?
The InChIKey is LGTREGPLZJITNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3S/c10-7-4-5(8(11)9(7)12)6-2-1-3-13-6/h1-3,5,12H,4H2.
What are the key properties of 1-hydroxy-3-thiophen-2-ylpyrrolidine-2,5-dione?
1-hydroxy-3-thiophen-2-ylpyrrolidine-2,5-dione has a molecular weight of 197.22 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-thiophen-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 150934673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).