2-Pentenal
PubChem CID: 5364752
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | trans-2-Pentenal, 1576-87-0, (E)-pent-2-enal, 2-PENTENAL, (E)-2-Pentenal, 3-Ethylacrolein, 2-(E)-Pentenal, 764-39-6, 2-Pentenal, (E)-, pent-2-enal, 2-Pentenal, (2E)-, (E)-Pent-2-en-1-al, 2-Ethylacrylic aldehyde, trans-2-Penten-1-al, 3-Ethyl-2-propenal, (2E)-2-Pentenal, (2E)-pent-2-enal, gamma-Methylcrotonaldehyde, trans-pent-2-enal, FEMA No. 3218, Pentenal, MFCD00009615, 7A4R3CQA2T, CHEMBL256368, 2-Penten-1-al, Pentenal, (E)-, Propylidenacetaldehyd, beta-Aethyl-acrolein, 3-ethylprop-2-enal, 31424-04-1, CCRIS 3514, CCRIS 4564, (E)-2-penten-1-al, EINECS 212-120-2, EINECS 216-414-1, UNII-7A4R3CQA2T, CHEBI:61722, BRN 1719742, beta-ethylacrolein, e-2-pentenal, (E)-3-ethylacrolein, 2-TRANS-PENTENAL, (2E)-2-Pentenal #, trans-2-Pentenal, 95%, (E)-3-ethyl-2-propenal, 2-PENTENAL [FHFI], GTPL2417, DTCCTIQRPGSLPT-ONEGZZNKSA-, DTXSID80858788, CHEBI:156100, trans-2-Pentenal, >=95%, FG, .GAMMA.-METHYLCROTONALDEHYDE, BDBM50203069, AKOS015836373, FP76481, HY-W111375, CS-0173472, NS00083236, P1790, EN300-321467, A809867, A838705, Q24705869, 2-trans-Pentenal, trans-2-Pentenal, (2E)-2-Pentenal, InChI=1/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3+ |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty aldehydes |
| Deep Smiles | CC/C=C/C=O |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 55.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O75762 |
| Iupac Name | (E)-pent-2-enal |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Target Id | NPT346 |
| Xlogp | 1.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H8O |
| Prediction Swissadme | 0.0 |
| Inchi Key | DTCCTIQRPGSLPT-ONEGZZNKSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.4 |
| Logs | -0.419 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.735 |
| Synonyms | (e)-2-pentenai, (e)-2-pentenal, (e)-pent-2-enal, e-2-pentenal |
| Esol Class | Very soluble |
| Functional Groups | C/C=C/C=O |
| Compound Name | 2-Pentenal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 84.0575 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 84.0575 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 84.12 |
| 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 | -0.8469315999999999 |
| Inchi | InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3+ |
| Smiles | CC/C=C/C=O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Allium Ampeloprasum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/15080639 - 2. Outgoing r'ship
FOUND_INto/from Annona Montana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699846 - 3. Outgoing r'ship
FOUND_INto/from Camellia Saluenensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Capsella Bursa-Pastoris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1913 - 6. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 7. Outgoing r'ship
FOUND_INto/from Cassia Grandis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700409 - 8. Outgoing r'ship
FOUND_INto/from Cinnamomum Glanduliferum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699065 - 9. Outgoing r'ship
FOUND_INto/from Citrullus Lanatus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2014.933449 - 10. Outgoing r'ship
FOUND_INto/from Citrus Maxima (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3239 - 11. Outgoing r'ship
FOUND_INto/from Dendrobium Chrysanthum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Dendrobium Fimbriatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Dimocarpus Longan (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199607)11:4<223::aid-ffj579>3.0.co;2-b - 14. Outgoing r'ship
FOUND_INto/from Juglans Regia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1477 - 15. Outgoing r'ship
FOUND_INto/from Persicaria Hydropiper (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1363 - 16. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701227 - 17. Outgoing r'ship
FOUND_INto/from Spondias Dulcis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100608 - 18. Outgoing r'ship
FOUND_INto/from Tamarindus Indica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700886 - 19. Outgoing r'ship
FOUND_INto/from Taxus Wallichiana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644112 - 20. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699245 - 21. Outgoing r'ship
FOUND_INto/from Vicia Sativa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700101 - 22. Outgoing r'ship
FOUND_INto/from Viscum Album (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9701029