Pyrroline
PubChem CID: 94395
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| Compound Synonyms | Pyrroline, 2,3-dihydro-1H-pyrrole, Dihydropyrrole, 2-pyrroline, 28350-87-0, Delta(2)-pyrroline, 638-31-3, 1H-Pyrrole, dihydro-, dihydro-1H-pyrrole, CHEBI:32986, DTXSID80182595, ZB1754, AKOS006370459, Q27115169 |
|---|---|
| Topological Polar Surface Area | 12.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 5.0 |
| Description | Pyrroline, also known as delta(2)-pyrroline or dihydropyrrole, is a member of the class of compounds known as pyrrolines. Pyrrolines are compounds containing a pyrroline ring, which is a five-member unsaturated aliphatic ring with one nitrogen atom and four carbon atoms. Pyrroline is soluble (in water) and a very strong basic compound (based on its pKa). Pyrroline can be found in common pea, which makes pyrroline a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 47.6 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dihydro-1H-pyrrole |
| Nih Violation | False |
| Class | Pyrrolines |
| Xlogp | 0.8 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Molecular Formula | C4H7N |
| Inchi Key | RSEBUVRVKCANEP-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1H-Pyrrole, dihydro-, 2-pyrroline, 2,3-dihydro-1H-pyrrole, Delta(2)-pyrroline, Dihydropyrrole, Delta(2)-Pyrroline, Δ(2)-pyrroline |
| Compound Name | Pyrroline |
| Kingdom | Organic compounds |
| Exact Mass | 69.0578 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 69.0578 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 69.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Inchi | InChI=1S/C4H7N/c1-2-4-5-3-1/h1,3,5H,2,4H2 |
| Smiles | C1CNC=C1 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Pyrrolines |
- 1. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all