2-(2'-Propenyl)-delta-1-piperideine
PubChem CID: 157009993
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| Compound Synonyms | 2-(2'-Propenyl)-delta-1-piperideine |
|---|---|
| Topological Polar Surface Area | 12.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | XWYDITRQXWMULZ-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 9.0 |
| Compound Name | 2-(2'-Propenyl)-delta-1-piperideine |
| Description | 2-(2'-propenyl)-delta-1-piperideine is a member of the class of compounds known as tetrahydropyridines. Tetrahydropyridines are derivatives of pyridine in which two double bonds in the pyridine moiety are reduced by adding four hydrogen atoms. 2-(2'-propenyl)-delta-1-piperideine is practically insoluble (in water) and a very strong basic compound (based on its pKa). 2-(2'-propenyl)-delta-1-piperideine can be found in pomegranate, which makes 2-(2'-propenyl)-delta-1-piperideine a potential biomarker for the consumption of this food product. |
| Exact Mass | 123.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 123.105 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 125.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 123.2 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-prop-2-enyl-2,3,4,5-tetrahydropyridine |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C8H13N/c1-2-5-8-6-3-4-7-9-8/h2H,1,3-7H2 |
| Smiles | C=CCC1=NCCCC1 |
| Xlogp | 1.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C8H13N |
- 1. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:fooddb_chem_all