| Sonrisas canónicas | CC(C)C1CCC(=O)NCC1 |
|---|---|
| IUPAC Name | 5-propan-2-ylazepan-2-one |
| InChIKey | KSLKLDCFPUXPSH-UHFFFAOYSA-N |
| INCHI | 1S/C9H17NO/c1-7(2)8-3-4-9(11)10-6-5-8/h7-8H,3-6H2,1-2H3,(H,10,11) |
| Peso molecular | 155.24 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Lactams |
| Subclass | Caprolactams |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Caprolactams |
| Alternative Parents | Azepanes Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Caprolactam - Azepane - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as caprolactams. These are cyclic amides of caproic acid. Caproic acid is the carboxylic acid derived from hexane with the general formula C5H11COOH. |
| External Descriptors | Not available |
| Peso molecular | 155.240 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 155.131 Da |
| Monoisotopic Mass | 155.131 Da |
| Topological Polar Surface Area | 29.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 142.000 |
| 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 |
