1-[1-(thiophene-3-carbonyl)azetidin-3-yl]pyrrolidine-2,5-dione

C12H12N2O3S — CID 86265311

IUPAC1-[1-(thiophene-3-carbonyl)azetidin-3-yl]pyrrolidine-2,5-dione
SMILESO=C(c1ccsc1)N1CC(N2C(=O)CCC2=O)C1
InChIInChI=1S/C12H12N2O3S/c15-10-1-2-11(16)14(10)9-5-13(6-9)12(17)8-3-4-18-7-8/h3-4,7,9H,1-2,5-6H2
InChIKeyQQENABNSARZIHR-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.72
Rot. Bonds2

About 1-[1-(thiophene-3-carbonyl)azetidin-3-yl]pyrrolidine-2,5-dione

1-[1-(thiophene-3-carbonyl)azetidin-3-yl]pyrrolidine-2,5-dione (PubChem CID 86265311) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 1-[1-(thiophene-3-carbonyl)azetidin-3-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[1-(thiophene-3-carbonyl)azetidin-3-yl]pyrrolidine-2,5-dione
PubChem CID86265311
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name1-[1-(thiophene-3-carbonyl)azetidin-3-yl]pyrrolidine-2,5-dione
SMILESO=C(c1ccsc1)N1CC(N2C(=O)CCC2=O)C1
InChIInChI=1S/C12H12N2O3S/c15-10-1-2-11(16)14(10)9-5-13(6-9)12(17)8-3-4-18-7-8/h3-4,7,9H,1-2,5-6H2
InChIKeyQQENABNSARZIHR-UHFFFAOYSA-N
XLogP0.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.72
H-Bond Donors ≤ 50
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-[1-(thiophene-3-carbonyl)azetidin-3-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[1-(thiophene-3-carbonyl)azetidin-3-yl]pyrrolidine-2,5-dione (CID 86265311) is 1-[1-(thiophene-3-carbonyl)azetidin-3-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[1-(thiophene-3-carbonyl)azetidin-3-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[1-(thiophene-3-carbonyl)azetidin-3-yl]pyrrolidine-2,5-dione is O=C(c1ccsc1)N1CC(N2C(=O)CCC2=O)C1.
What is the InChIKey of 1-[1-(thiophene-3-carbonyl)azetidin-3-yl]pyrrolidine-2,5-dione?
The InChIKey is QQENABNSARZIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c15-10-1-2-11(16)14(10)9-5-13(6-9)12(17)8-3-4-18-7-8/h3-4,7,9H,1-2,5-6H2.
What are the key properties of 1-[1-(thiophene-3-carbonyl)azetidin-3-yl]pyrrolidine-2,5-dione?
1-[1-(thiophene-3-carbonyl)azetidin-3-yl]pyrrolidine-2,5-dione has a molecular weight of 264.31 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(thiophene-3-carbonyl)azetidin-3-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 86265311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).