|
Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
1
Total Number of Articles : 1
|
| PubChem |
11604
|
| Molecular Formula |
C5H7N |
| SMILES |
C=CCCC#N |
| InChI |
InChI=1S/C5H7N/c1-2-3-4-5-6/h2H,1,3-4H2 |
| synonyms |
- 4-PENTENENITRILE
- pent-4-enenitrile
- 592-51-8
- 4-Cyano-1-butene
- Allylacetonitrile
- 4-Pentenonitrile
- 3-Butenyl cyanide
- 1-Cyano-3-butene
- Allylmethyl cyanide
- 4-Pentenoic acid, nitrile
- MFCD00151259
- DTXSID0027228
- 89HYM37372
- HSDB 5709
- EINECS 209-762-0
- UNII-89HYM37372
- 4-cyano-butene
- 4-Pentenenitrile, 97%
- DTXCID907228
- 4-PENTENENITRILE [HSDB]
- CHEMBL1595985
- CFEYBLWMNFZOPB-UHFFFAOYSA-
- Tox21_201124
- BBL100738
- GEO-02090
- STL554532
- AKOS005255308
- NCGC00091813-01
- NCGC00091813-02
- NCGC00258676-01
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|
| Properties |
| Property |
Value |
| MW |
81.12 g/mol |
| HBD |
0 |
| HBA |
1 |
| Rotatable Bond Count |
2 |
| Exact Mass |
81.057849228 g/mol |
| Monoisotopic Mass |
81.057849228 g/mol |
| Heavy Atom Count |
6 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
75.2 |
| xlogp |
1 |
| Topological Polar Surface Area |
23.8 |
|