C=CCC#N
CAS: 109-75-1
Name: but-3-enenitrile
SMILES: C=CCC#N

Molecular Processing

Molecular formula
C4H5N
Molecular weight
67.09
Exact mass
67.0422
XLogP
1.09
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
5
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
20.43

Supplementary Information

InChIKey: SJNALLRHIVGIBI-UHFFFAOYSA-N
Synonyme
3-BUTENENITRILEAllyl cyanidebut-3-enenitrile109-75-13-ButenonitrileVinylacetonitrileAllylnitrile3-Cyano-1-propene1-Butene-4-nitrileAllylkyanidbeta-ButenonitrileDTXSID6021905527U1WJJ18NSC-2583CHEBI:183063RefChem:554855DTXCID901905203-701-13-Butenylnitrile3-CyanopropenePropene-3-nitrileAcetonitrile, vinyl-allylcyanide.beta.-Butenonitrile2-Butenol-1NSC 2583MFCD00001962Allyl cyanide, 98%CH2=CHCH2CNAllylkyanid [Czech]
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