| Canonical Smiles | CC1CCNC(=O)C1 |
|---|---|
| IUPAC Name | 4-methylpiperidin-2-one |
| InChIKey | PTSGHGGLRADEFP-UHFFFAOYSA-N |
| INCHI | 1S/C6H11NO/c1-5-2-3-7-6(8)4-5/h5H,2-4H2,1H3,(H,7,8) |
| Isomeric SMILES | CC1CCNC(=O)C1 |
| PubChem CID | 14146878 |
| Molecular Weight | 113.1576 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Piperidinones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Piperidinones |
| Alternative Parents | Delta lactams Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Delta-lactam - Piperidinone - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as piperidinones. These are compounds containing a piperidine ring which bears a ketone. |
| External Descriptors | Not available |
| Molecular Weight | 113.160 g/mol |
|---|---|
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 113.084 Da |
| Monoisotopic Mass | 113.084 Da |
| Topological Polar Surface Area | 29.100 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 101.000 |
| 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 |
