2-(2-Pentenyl)furan
PubChem CID: 5369957
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| Compound Synonyms | 2-(2-pentenyl)furan, 82550-42-3, 2-[(E)-pent-2-enyl]furan, trans-2-(2-Pentenyl)furan, 2-[(2E)-2-Pentenyl]furan, (E)-2-(pent-2-en-1-yl)furan, Furan,2-(2-penten-1-yl)-, 2-[(2E)-PENT-2-EN-1-YL]FURAN, 2(trans-2-Pentenyl)furan, (E)-2-(2-Pentenyl)furan, 2-(Pent-2(E)-enyl)furan, SCHEMBL5370091, SCHEMBL5370099, KQMWMXVDLIDHGY-ONEGZZNKSA-N, KQMWMXVDLIDHGY-UHFFFAOYSA-N, AKOS015902045 |
|---|---|
| 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 | Furans |
| Deep Smiles | CC/C=C/Ccccco5 |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Heteroaromatic compounds |
| Scaffold Graph Node Level | C1CCOC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 107.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(E)-pent-2-enyl]furan |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H12O |
| Scaffold Graph Node Bond Level | c1ccoc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KQMWMXVDLIDHGY-ONEGZZNKSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.525 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.346 |
| Synonyms | trans-2-(2-pentenyl)furan |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C, coc |
| Compound Name | 2-(2-Pentenyl)furan |
| Prediction Hob Swissadme | 0.0 |
| 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 |
| Lipinski Rule Of 5 | True |
| Esol | -2.9606028 |
| Inchi | InChI=1S/C9H12O/c1-2-3-4-6-9-7-5-8-10-9/h3-5,7-8H,2,6H2,1H3/b4-3+ |
| Smiles | CC/C=C/CC1=CC=CO1 |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Cyclic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Arachis Hypogaea (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.961039 - 2. Outgoing r'ship
FOUND_INto/from Nerium Oleander (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all