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
    1.3221   -0.7632   -2.7718 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2195   -1.5526   -2.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0620   -1.2554   -0.7545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2437   -0.0156   -0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3962    0.9324   -1.0466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3915    0.2174    1.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6856    1.4336    1.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8443    1.7122    3.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2266   -0.8359    2.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1120   -1.6650    2.9342 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837   -1.3199   -2.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4526    0.2151   -2.2779 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1091   -0.5787   -3.8421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5157   -2.6416   -2.1683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7351   -1.4941   -2.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8228    2.2697    0.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7215    2.3325    3.2779 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0990    2.2426    3.3831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8845    0.7663    3.6680 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