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
   -0.9043    2.9274   -0.4624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5715    1.9996    0.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7602    0.8765    0.7405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4615    0.0159   -0.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9051    0.2115   -1.4475 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3947   -1.1524   -0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9066   -1.4271    1.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7723   -2.6616    1.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6507   -2.0049   -1.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8565   -2.6577   -2.1573 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1321    3.1003   -0.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9493    2.4910   -1.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4332    3.9078   -0.4035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8273    2.5346    1.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5262    1.6211    0.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7828   -0.8725    1.9816 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5288   -2.5616    1.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2101   -2.8607    0.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -3.4871    1.4939 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