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
   -1.4074   -2.7371   -1.9736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3646   -2.2898   -1.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5015   -0.9180   -0.6513 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3685   -0.3117    0.2289 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2955   -1.0629    0.6892 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2855    1.0698    0.6367 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1572    1.5631    1.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0856    2.9997    1.9151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7436    1.9042    0.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5842    2.5910   -0.2754 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0188   -3.5831   -1.6081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9376   -3.0574   -2.9188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1336   -1.9195   -2.2195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3778   -2.9416   -0.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6370   -2.4240   -1.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9726    0.9952    1.9164 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8141    3.5696    1.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3653    3.1237    2.9707 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0878    3.4289    1.7700 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