| Sonrisas canónicas | CC1C(=O)CC(=O)N1 |
|---|---|
| IUPAC Name | 5-methylpyrrolidine-2,4-dione |
| InChIKey | VKKNQZBZGSFRCA-UHFFFAOYSA-N |
| INCHI | 1S/C5H7NO2/c1-3-4(7)2-5(8)6-3/h3H,2H2,1H3,(H,6,8) |
| Peso molecular | 113.11 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,3-dicarbonyl compounds |
| Alternative Parents | Pyrrolidine-3-ones Pyrrolidine-2-ones Secondary carboxylic acid amides Lactams Cyclic ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - 1,3-dicarbonyl compound - Pyrrolidine - Carboxamide group - Ketone - Lactam - Secondary carboxylic acid amide - Cyclic ketone - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 1,3-dicarbonyl compounds. These are carbonyl compounds with the generic formula O=C(R)C(H)C(R')=O, where R and R' can be any group. |
| External Descriptors | Not available |
| Peso molecular | 113.110 g/mol |
|---|---|
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 113.048 Da |
| Monoisotopic Mass | 113.048 Da |
| Topological Polar Surface Area | 46.200 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 141.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
