3-Pentenenitrile, (3Z)-
PubChem CID: 12468300
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | cis-3-Pentenenitrile, 3-Pentenenitrile, (Z)-, 3-Pentenenitrile, (3Z)-, UNII-84YRK5F4AJ, 84YRK5F4AJ, 16545-78-1, (3Z)-3-pentenenitrile, UVKXJAUUKPDDNW-IHWYPQMZSA-N, Q27269565 |
|---|---|
| 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;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-pent-3-enenitrile |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C5H7N |
| Prediction Swissadme | 0.0 |
| Inchi Key | UVKXJAUUKPDDNW-IHWYPQMZSA-N |
| Fcsp3 | 0.4 |
| Logs | -0.768 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.548 |
| Compound Name | 3-Pentenenitrile, (3Z)- |
| 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 Sinapis Alba (Plant) Rel Props:Source_db:cmaup_ingredients