| Canonical Smiles | C=C(CN1CCCCC1)C#N |
|---|---|
| IUPAC Name | 2-(piperidin-1-ylmethyl)prop-2-enenitrile |
| InChIKey | OPVQYFLTGBIQKG-UHFFFAOYSA-N |
| INCHI | 1S/C9H14N2/c1-9(7-10)8-11-5-3-2-4-6-11/h1-6,8H2 |
| Isomeric SMILES | C=C(CN1CCCCC1)C#N |
| PubChem CID | 2776846 |
| Molecular Weight | 150.23 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Piperidines |
| Alternative Parents | Trialkylamines Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Piperidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 150.220 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 150.116 Da |
| Monoisotopic Mass | 150.116 Da |
| Topological Polar Surface Area | 27.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 181.000 |
| 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 |
