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
    2.4209    1.5777   -0.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6446    0.9537    0.6013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4882    0.2884    0.2036 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3364   -0.3376    1.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0457   -0.2585    2.3161 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5597   -1.0548    0.7768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9974   -1.1684   -0.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2352   -0.5538   -1.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3033   -1.6551    1.8547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9029   -2.1281    2.7438 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0836    1.3664   -1.5098 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3836    2.6951   -0.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5165    1.3155   -0.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4536    1.6894    1.4362 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3129    0.1810    1.0847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9087   -1.7083   -0.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1622    0.5437   -1.3914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7385   -0.7454   -2.5308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2054   -1.0010   -1.5830 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