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
    2.4151   -0.5756   -1.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0624   -0.1534    0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6777   -0.0930    0.2654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1939    0.7274   -0.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3351    1.4385   -1.3288 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6385    0.7918   -0.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2089    0.0628    0.7775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5079   -0.8834    1.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4048    1.6833   -0.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0428    2.4386   -1.6273 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6444   -0.3237   -2.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3697   -0.0787   -1.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5863   -1.6796   -1.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5942    0.7980    0.2168 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5079   -0.9138    0.6958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2792    0.1754    0.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0951   -1.7208    1.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1685   -1.3134    2.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6531   -0.3803    2.1504 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