Pent-2-Enenitrile
PubChem CID: 25833
Connections displayed (default: 10).
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| Compound Synonyms | Pent-2-enenitrile, (2E)-2-Pentenenitrile, Pentenenitrile, DSSTox_CID_5850, DSSTox_RID_77946, DSSTox_GSID_25850, CHEMBL3185046, DTXSID6027894, ISBHMJZRKAFTGE-UHFFFAOYSA-N, Tox21_200185, NCGC00257739-01, CAS-13284-42-9, NS00077392, D92033, 236-297-0 |
|---|---|
| Topological Polar Surface Area | 23.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 83.4 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pent-2-enenitrile |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C5H7N |
| Prediction Swissadme | 0.0 |
| Inchi Key | ISBHMJZRKAFTGE-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -1.604 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.602 |
| Compound Name | Pent-2-Enenitrile |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 81.0578 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 81.0578 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 81.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.0581316 |
| Inchi | InChI=1S/C5H7N/c1-2-3-4-5-6/h3-4H,2H2,1H3 |
| Smiles | CCC=CC#N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Actinidia Chinensis (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Acypha Ciliata (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Aesculus Chinensis (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Ajuga Ciliata (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Albizia Chinensis (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Albizzia Chinensis (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Alpinia Chinensis (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Anthocephalus Chinensis (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Aralia Chinensis (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Artemisia Chinensis (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Arundina Chinensis (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Astilbe Chinensis (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Atractylodes Chinensis (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Aucuba Chinensis (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Belamcanda Chinensis (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Bergenia Ciliata (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Blumea Chinensis (Plant) Rel Props:Reference: - 20. Outgoing r'ship
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FOUND_INto/from Breonia Chinensis (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Clematis Chinensis (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Coptis Chinensis (Plant) Rel Props:Reference: - 24. Outgoing r'ship
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FOUND_INto/from Desmos Chinensis (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Dianthus Chinensis (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Dicliptera Chinensis (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Elsholtzia Blanda (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Elsholtzia Bodinieri (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Elsholtzia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 32. Outgoing r'ship
FOUND_INto/from Elsholtzia Communis (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Elsholtzia Cristata (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Elsholtzia Densa (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Elsholtzia Eriostachya (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Elsholtzia Fruticosa (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Elsholtzia Pilosa (Plant) Rel Props:Reference: - 38. Outgoing r'ship
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FOUND_INto/from Elsholtzia Splendens (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Elsholtzia Stauntonii (Plant) Rel Props:Reference: - 41. Outgoing r'ship
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FOUND_INto/from Fraxinus Chinensis (Plant) Rel Props:Reference: - 45. Outgoing r'ship
FOUND_INto/from Hydrangea Chinensis (Plant) Rel Props:Reference: - 46. Outgoing r'ship
FOUND_INto/from Impatiens Chinensis (Plant) Rel Props:Reference: - 47. Outgoing r'ship
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FOUND_INto/from Juniperus Chinensis (Plant) Rel Props:Reference: - 52. Outgoing r'ship
FOUND_INto/from Justicia Ciliata (Plant) Rel Props:Reference: - 53. Outgoing r'ship
FOUND_INto/from Klaseopsis Chinensis (Plant) Rel Props:Reference: - 54. Outgoing r'ship
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FOUND_INto/from Listea Chinensis (Plant) Rel Props:Reference: - 56. Outgoing r'ship
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FOUND_INto/from Mosla Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 60. Outgoing r'ship
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FOUND_INto/from Mosla Scabra (Plant) Rel Props:Reference: - 65. Outgoing r'ship
FOUND_INto/from Odontosoria Chinensis (Plant) Rel Props:Reference: - 66. Outgoing r'ship
FOUND_INto/from Osbeckia Chinensis (Plant) Rel Props:Reference: - 67. Outgoing r'ship
FOUND_INto/from Paederia Chinensis (Plant) Rel Props:Reference: - 68. Outgoing r'ship
FOUND_INto/from Persicaria Chinensis (Plant) Rel Props:Reference: - 69. Outgoing r'ship
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FOUND_INto/from Rosa Chinensis (Plant) Rel Props:Reference: - 77. Outgoing r'ship
FOUND_INto/from Salacia Chinensis (Plant) Rel Props:Reference: - 78. Outgoing r'ship
FOUND_INto/from Saururus Chinensis (Plant) Rel Props:Reference: - 79. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Reference: - 80. Outgoing r'ship
FOUND_INto/from Scolopia Chinensis (Plant) Rel Props:Reference: - 81. Outgoing r'ship
FOUND_INto/from Senecio Chinensis (Plant) Rel Props:Reference: - 82. Outgoing r'ship
FOUND_INto/from Simmondsia Chinensis (Plant) Rel Props:Reference: - 83. Outgoing r'ship
FOUND_INto/from Siphonostegia Chinensis (Plant) Rel Props:Reference: - 84. Outgoing r'ship
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FOUND_INto/from Stauntonia Chinensis (Plant) Rel Props:Reference: - 88. Outgoing r'ship
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FOUND_INto/from Swertia Chinensis (Plant) Rel Props:Reference: - 90. Outgoing r'ship
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FOUND_INto/from Taxillus Chinensis (Plant) Rel Props:Reference: - 94. Outgoing r'ship
FOUND_INto/from Taxus Chinensis (Plant) Rel Props:Reference: - 95. Outgoing r'ship
FOUND_INto/from Thermopsis Chinensis (Plant) Rel Props:Reference: - 96. Outgoing r'ship
FOUND_INto/from Toona Ciliata (Plant) Rel Props:Reference: - 97. Outgoing r'ship
FOUND_INto/from Trollius Chinensis (Plant) Rel Props:Reference: - 98. Outgoing r'ship
FOUND_INto/from Tsuga Chinensis (Plant) Rel Props:Reference: - 99. Outgoing r'ship
FOUND_INto/from Tupistra Chinensis (Plant) Rel Props:Reference: - 100. Outgoing r'ship
FOUND_INto/from Wedelia Chinensis (Plant) Rel Props:Reference: