1-(thiophene-2-carbonyl)pyrrolidine-2,5-dione

C9H7NO3S — CID 4171182

IUPAC1-(thiophene-2-carbonyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C(=O)c1cccs1
InChIInChI=1S/C9H7NO3S/c11-7-3-4-8(12)10(7)9(13)6-2-1-5-14-6/h1-2,5H,3-4H2
InChIKeyPRGBGNQDTZISKU-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.04
Rot. Bonds1

About 1-(thiophene-2-carbonyl)pyrrolidine-2,5-dione

1-(thiophene-2-carbonyl)pyrrolidine-2,5-dione (PubChem CID 4171182) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is 1-(thiophene-2-carbonyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(thiophene-2-carbonyl)pyrrolidine-2,5-dione
PubChem CID4171182
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Name1-(thiophene-2-carbonyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C(=O)c1cccs1
InChIInChI=1S/C9H7NO3S/c11-7-3-4-8(12)10(7)9(13)6-2-1-5-14-6/h1-2,5H,3-4H2
InChIKeyPRGBGNQDTZISKU-UHFFFAOYSA-N
XLogP1.04
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(thiophene-2-carbonyl)pyrrolidin-3-one
CID 112536071
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
9-(thiophene-2-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one
CID 97370792
2,6-dimethyl-1-(thiophene-2-carbonyl)pyridin-4-one
CID 142760567
(4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1154208
2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116680820
ethane;piperazin-1-yl(thiophen-2-yl)methanone
CID 142187928
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
benzotriazol-2-yl(thiophen-2-yl)methanone
CID 141296565
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(thiophen-2-yl)methanone
CID 66212768

Frequently Asked Questions

What is the IUPAC name of 1-(thiophene-2-carbonyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(thiophene-2-carbonyl)pyrrolidine-2,5-dione (CID 4171182) is 1-(thiophene-2-carbonyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(thiophene-2-carbonyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(thiophene-2-carbonyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1C(=O)c1cccs1.
What is the InChIKey of 1-(thiophene-2-carbonyl)pyrrolidine-2,5-dione?
The InChIKey is PRGBGNQDTZISKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c11-7-3-4-8(12)10(7)9(13)6-2-1-5-14-6/h1-2,5H,3-4H2.
What are the key properties of 1-(thiophene-2-carbonyl)pyrrolidine-2,5-dione?
1-(thiophene-2-carbonyl)pyrrolidine-2,5-dione has a molecular weight of 209.23 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophene-2-carbonyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 4171182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).