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
   -0.9667   -3.0998   -0.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3944   -2.6126    0.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6992   -1.3061   -0.3079 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0284   -0.2036    0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0130   -0.3854    0.8978 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3178    1.1402   -0.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3477    2.1746    0.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0900    3.5451   -0.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4716    1.3361   -1.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3394    1.4961   -1.8009 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2403   -2.7508   -1.3721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0421   -4.2099   -0.3353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7427   -2.7456    0.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6018   -2.8275    1.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1324   -3.2750   -0.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1999    2.1203    0.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1478    3.7509    0.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5806    4.3251    0.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0329    3.5279   -1.3769 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