5-Hexenenitrile
PubChem CID: 123222
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| Compound Synonyms | 5-Hexenenitrile, 5048-19-1, hex-5-enenitrile, 4-Pentenyl cyanide, 5-Cyano-1-pentene, DTXSID50198502, MFCD00067056, hex-1-ene-6-nitrile, 5-Hexenenitrile, 95%, DTXCID40120993, AKOS009157709, H0836, D90957, EN300-139487, 624-976-8 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 23.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | C=CCCCC#N |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Organonitrogen compounds |
| Classyfire Subclass | Organic cyanides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 85.6 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hex-5-enenitrile |
| Veber Rule | True |
| Classyfire Superclass | Organic nitrogen compounds |
| Xlogp | 1.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H9N |
| Inchi Key | UNAQSRLBVVDYGP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 5-hexenenitrile |
| Esol Class | Very soluble |
| Functional Groups | C=CC, CC#N |
| Compound Name | 5-Hexenenitrile |
| Exact Mass | 95.0735 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 95.0735 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 95.14 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H9N/c1-2-3-4-5-6-7/h2H,1,3-5H2 |
| Smiles | C=CCCCC#N |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699245