2-(1-Pentenyl)furan
PubChem CID: 5369956
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| Compound Synonyms | 2-(1-Pentenyl)furan, trans-2-(1-Pentenyl)furan, 2-(1-pentenyl)furan (E), 2-[(1E)-1-Pentenyl]furan, cis-2-(1-Pentenyl)furan, Furan, 2-(1-pentenyl)-, Furan, 2-(1-pentenyl)-, (E)-, 2-(1-Pentenyl)-Furan, 1-(2-Furanyl)-1-pentene, 81677-78-3, 2-(trans-2'-Pentenyl)furan, 2-[(E)-pent-1-enyl]uran, 2-(1-Pentenyl)-(e)-Furan, 2-(1-Pentenyl)-(Z)-Furan, 2-(1-Pentenyl)furan, trans-, CHEBI:196449, LKSYSJTUBQSZBS-GQCTYLIASA-N, 2-[(1E)-pent-1-en-1-yl]furan |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 13.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCC/C=C/cccco5 |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Heteroaromatic compounds |
| Description | Component of reversion flavour in soybean oil. Aroma volatile of cooked pork and boiled potato. 2-(1-Pentenyl)furan is found in fats and oils, animal foods, and potato. |
| Scaffold Graph Node Level | C1CCOC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 107.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(E)-pent-1-enyl]furan |
| Class | Heteroaromatic compounds |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.0 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H12O |
| Scaffold Graph Node Bond Level | c1ccoc1 |
| Inchi Key | LKSYSJTUBQSZBS-GQCTYLIASA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 1-(2-Furanyl)-1-pentene, 2-(1-Pentenyl)-(e)-furan, 2-(1-Pentenyl)-(Z)-furan, 2-(1-Pentenyl)-furan, 2-(1-pentenyl)furan (E), 2-[(1E)-1-Pentenyl]furan, cis-2-(1-Pentenyl)furan, Furan, 2-(1-pentenyl)-, Furan, 2-(1-pentenyl)-, (e)-, Furan, 2-(1-pentenyl)-, (Z)-, trans-2-(1-Pentenyl)furan, 2-(1-Pentenyl)furan (e), (e)-2-(1-pentenyl)-furan |
| Esol Class | Soluble |
| Functional Groups | c/C=C/C, coc |
| Compound Name | 2-(1-Pentenyl)furan |
| Kingdom | Organic compounds |
| Exact Mass | 136.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 136.19 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H12O/c1-2-3-4-6-9-7-5-8-10-9/h4-8H,2-3H2,1H3/b6-4+ |
| Smiles | CCC/C=C/C1=CC=CO1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Heteroaromatic compounds |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Capparis Spinosa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1113205