2-Pentenenitrile, (2Z)-
PubChem CID: 6433944
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| Compound Synonyms | CIS-2-PENTENENITRILE, (Z)-Pent-2-enenitrile, 25899-50-7, 2-Pentenenitrile, (2Z)-, cis-2-Pentenonitrile, cis-1-Butenyl cyanide, (Z)-2-Pentenenitrile, (2Z)-2-Pentenenitrile, 2-Pentenenitrile, (Z)-, CCRIS 1229, EINECS 247-323-5, BRN 1719855, DTXSID2027884, 13MIC79314, DTXCID307884, 2-PENTENENITRILE, CIS-, EC 247-323-5, 4-02-00-01546 (Beilstein Handbook Reference), 1-Cyano-1-butene, (2Z)-pent-2-enenitrile, UNII-13MIC79314, cis-pent-2-enenitrile, Cis-2-pentenenitrile, , CHEMBL3185899, ISBHMJZRKAFTGE-ARJAWSKDSA-, Tox21_301137, AKOS026677431, NCGC00248304-01, NCGC00257528-01, CAS-25899-50-7, NS00006014, Q27251526, F0001-0861, InChI=1/C5H7N/c1-2-3-4-5-6/h3-4H,2H2,1H3/b4-3- |
|---|---|
| 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 | P10275 |
| Iupac Name | (Z)-pent-2-enenitrile |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C5H7N |
| Prediction Swissadme | 0.0 |
| Inchi Key | ISBHMJZRKAFTGE-ARJAWSKDSA-N |
| Fcsp3 | 0.4 |
| Logs | -1.736 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.847 |
| Compound Name | 2-Pentenenitrile, (2Z)- |
| 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/b4-3- |
| Smiles | CC/C=C\C#N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elsholtzia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Mosla Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all