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
   -3.1212   -0.1834    0.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5753   -0.6355   -0.5862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2926   -0.1019   -0.8263 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1963   -0.3422   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3848   -1.0781    0.9879 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1174    0.2178   -0.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1030   -0.0621    0.5498 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4839    0.4699    0.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4162    1.0643   -1.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6424    1.7651   -2.2985 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2187   -0.4075    0.7643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6474   -0.7816    1.5574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9304    0.9075    0.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2321   -0.2384   -1.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6267   -1.7256   -0.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9486   -0.7043    1.4259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2400   -0.1741    0.8316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5190    1.5081    0.7060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7550    0.5019   -0.7351 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