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Basic Description
| Specifications & Purity | tech. 90% |
|---|
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
- Class Pyrrolines
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Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolines |
| Subclass | Pyrroline carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrroline carboxylic acids and derivatives |
| Alternative Parents | N-acyl ureas Maleimides N-substituted carboxylic acid imides Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Pyrroline carboxylic acid or derivatives - N-acyl urea - Ureide - Maleimide - Carboxylic acid imide, n-substituted - Dicarboximide - Carboxylic acid imide - Urea - Carbonic acid derivative - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrroline carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrroline ring substituted by one or more carboxylic acid groups (or derivative thereof). |
| External Descriptors | Not available |
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Product Properties
| ALogP | -0.8 |
|---|
Names and Identifiers
| IUPAC Name | 2,5-dioxopyrrole-1-carboxamide |
|---|---|
| INCHI | InChI=1S/C5H4N2O3/c6-5(10)7-3(8)1-2-4(7)9/h1-2H,(H2,6,10) |
| InChIKey | BNPFHEFZJPVCCE-UHFFFAOYSA-N |
| Smiles | C1=CC(=O)N(C1=O)C(=O)N |
| Isomeric SMILES | C1=CC(=O)N(C1=O)C(=O)N |
| PubChem CID | 76868 |
| Molecular Weight | 140.1 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 140.100 g/mol |
|---|---|
| XLogP3 | -0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 140.022 Da |
| Monoisotopic Mass | 140.022 Da |
| Topological Polar Surface Area | 80.500 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 225.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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