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
   -1.9444   -1.5728   -1.9362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2561   -1.2254   -0.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1508   -0.8616    0.2508 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3544    0.1989   -0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5978    0.8822   -1.0485 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7784    0.5097    0.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5850    1.5234    0.5639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7150    1.7776    1.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0626   -0.2945    1.9755 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3030   -0.9200    2.9045 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7648   -2.2591   -2.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -2.1385   -2.0437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9807   -0.6653   -2.5838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0063   -0.4093   -0.4725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7025   -2.1434   -0.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3791    2.1312   -0.3098 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4056    1.4382    2.4925 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5876    1.1733    1.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9541    2.8554    1.5771 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