Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C5H7N |
| Molecular Weight | 81.1158 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC\C=C/C#N
InChI
InChIKey=ISBHMJZRKAFTGE-ARJAWSKDSA-N
InChI=1S/C5H7N/c1-2-3-4-5-6/h3-4H,2H2,1H3/b4-3-
| Molecular Formula | C5H7N |
| Molecular Weight | 81.1158 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Nonadiabatic excited-state dynamics with hybrid ab initio quantum-mechanical/molecular-mechanical methods: solvation of the pentadieniminium cation in apolar media. | 2010-07-01 |
|
| Nonadiabatic excited-state dynamics of polar pi-systems and related model compounds of biological relevance. | 2008-01-28 |
|
| Oral toxicity study of 2-pentenenitrile in rats with reproductive toxicity screening test. | 2006 |
|
| Effects of aliphatic nitriles in micromass cultures of rat embryo limb bud cells. | 2004-06 |
|
| The ototoxic effects induced in rats by treatment for 12 weeks with 2-butenenitrile, 3-butenenitrile and cis-2-pentenenitrile. | 2001-03 |
Patents
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:59:35 GMT 2025
by
admin
on
Mon Mar 31 22:59:35 GMT 2025
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| Record UNII |
13MIC79314
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| Record Status |
Validated (UNII)
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| Record Version |
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DTXSID2027884
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