Monomers

Ethyl 2-cyanocrotonate

Identifiers

IUPAC name
ethyl (E)-2-cyanobut-2-enoate
InchI
InChI=1S/C7H9NO2/c1-3-6(5-8)7(9)10-4-2/h3H,4H2,1-2H3/b6-3+
InchI Key
WIUDWAAJQVNSOH-ZZXKWVIFSA-N
SMILES
CCOC(=O)/C(=C/C)/C#N
Canonical SMILES
CCOC(=O)C(=CC)C#N
Isomeric SMILES
CCOC(=O)/C(=C/C)/C#N
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H9NO2
Heavy Atom Count
10
Molecular Weight
139.154
Exact Molecular Weight
139.0633
Valence Electrons
54
Radical Electrons
0
tPSA
50.09
MolLogP
1.0194
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 19 18  0  0  0  0  0  0  0  0999 V2000
   -0.0066   -2.2468    2.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7493   -2.3881    1.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3382   -1.4169    0.2158 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3734   -0.0662    0.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8371    0.4644    1.3270 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1052    0.8188   -0.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0588    2.1168   -0.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5211    3.0463   -1.6963 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6684    0.1982   -2.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0718   -0.2323   -2.9246 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2439   -1.2478    2.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4383   -2.9909    3.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0545   -2.4514    2.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8234   -2.5136    1.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3672   -3.3772    0.6663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3444    2.5283    0.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9980    3.9367   -1.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3314    2.5098   -2.2767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2873    3.3120   -2.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  6  9  1  0
  9 10  3  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
  8 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers