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
   -2.3334    0.0400   -1.6172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3855   -1.1153   -1.6663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6447   -1.2876   -0.4836 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1954   -0.2910   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2438    0.7585   -0.6969 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9607   -0.4771    1.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7622    0.4530    1.6931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9323    1.7634    0.9865 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8376   -1.7113    1.9336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7413   -2.7223    2.4934 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9416    0.9434   -2.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6142    0.3508   -0.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2628   -0.2363   -2.1617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7079   -0.9476   -2.5444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9343   -2.0631   -1.8555 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3008    0.2554    2.6057 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9267    2.2459    1.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6224    2.3933    1.5752 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3012    1.6479   -0.0387 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