1,2-Cyclopentanedicarboximide - ≥97% , CAS No.5763-44-0

CAS: 5763-44-0 Cat. No.: T589539 Molecular Weight: 139.15 EC Number: 227-285-6 PubChem CID: 110709

GRADE & PURITY ≥97%

Synonyms

1,2-Cyclopentane dicarboximide | tetrahydrocyclopenta[c]pyrrole-1,3(2h,3ah)-dione | 4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione | DTXSID30901319 | FT-0694926 | Tetrahydrocyclopenta(c)pyrrole-1,3(2H,3aH)-dione | octahydrocyclopenta[c]pyrrole-1,3

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

1, 2-Cyclopentane dicarboximide | tetrahydrocyclopenta[c]pyrrole-1, 3(2h, 3ah)-dione | 4, 5, 6, 6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1, 3-dione | DTXSID30901319 | FT-0694926 | Tetrahydrocyclopenta(c)pyrrole-1, 3(2H, 3aH)-dione | octahydrocyclopenta[c]pyrrole-1, 3

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CC2C(C1)C(=O)NC2=O
• IUPAC Name: 4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
• InChIKey: QCWDCTDYSDJKTP-UHFFFAOYSA-N
• INCHI: 1S/C7H9NO2/c9-6-4-2-1-3-5(4)7(10)8-6/h4-5H,1-3H2,(H,8,9,10)
• Isomeric SMILES: C1CC2C(C1)C(=O)NC2=O
• PubChem CID: 110709
• Molecular Weight: 139.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine-2-ones
• Alternative Parents: N-unsubstituted carboxylic acid imides Dicarboximides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: 2-pyrrolidone - Carboxylic acid imide - Dicarboximide - Carboxylic acid imide, n-unsubstituted - Lactam - Carboxylic acid derivative - Azacycle - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Acetonitrile (Slightly), Chloroform (Slightly)
• Melt Point(°C): 83 - 87°C
• Molecular Weight: 139.150 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 139.063 Da
• Monoisotopic Mass: 139.063 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 180.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1