3-Pentenenitrile
PubChem CID: 5324707
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3-PENTENENITRILE, 16529-66-1, 4635-87-4, (E)-pent-3-enenitrile, pent-3-enenitrile, Trans-3-pentenenitrile, 3-Pentenenitrile, (3E)-, (E)-3-Pentenenitrile, 3-Pentenonitrile, trans-3-pentenonitrile, trans-2-Butenyl cyanide, (3E)-3-Pentenenitrile, (E)-2-Butenyl cyanide, trans-1-Cyanobut-2-ene, 3-Pentenenitrile, (E)-, 3-Pentenenitrile, Pract., 3-Pentenenitrile, predominately trans, 80L2GJH2P2, HSDB 6779, UNII-I2GHQ8L4DH, DTXSID1025851, UNII-80L2GJH2P2, CCRIS 6090, EINECS 225-060-7, 1-Cyano-2-butene, MFCD00001963, trans-pent-3-enenitrile, 2-Buten-1-yl Cyanide, I2GHQ8L4DH, EC 225-060-7, (3E)-3-Pentenenitrile #, MLS002152885, DTXCID005851, CHEMBL1322495, (3E)-PENT-3-ENENITRILE, DTXSID901019314, HMS3039D08, Tox21_200088, AKOS000184569, NCGC00091720-01, NCGC00091720-02, NCGC00257642-01, SMR001224498, CAS-4635-87-4, DB-222237, 3-Pentenenitrile, predominately trans, 95%, CS-0447738, NS00004627, P0958, Q27269157, InChI=1/C5H7N/c1-2-3-4-5-6/h2-3H,4H2,1H3/b3-2 |
|---|---|
| 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 |
| Uniprot Id | P16473, Q92830, P83916, Q16236 |
| Iupac Name | (E)-pent-3-enenitrile |
| Prediction Hob | 1.0 |
| Target Id | NPT210 |
| Xlogp | 1.0 |
| Molecular Formula | C5H7N |
| Prediction Swissadme | 0.0 |
| Inchi Key | UVKXJAUUKPDDNW-NSCUHMNNSA-N |
| Fcsp3 | 0.4 |
| Logs | -0.904 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.796 |
| Compound Name | 3-Pentenenitrile |
| 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 | -0.8817316 |
| Inchi | InChI=1S/C5H7N/c1-2-3-4-5-6/h2-3H,4H2,1H3/b3-2+ |
| Smiles | C/C=C/CC#N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Juncea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Sinapis Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all