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
    1.9784   -1.2506    1.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5228   -1.0146    2.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0805   -0.0957    1.3208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1002   -0.2982   -0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4581   -1.3564   -0.4623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7116    0.6202   -0.9881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6775    0.3382   -2.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2872    1.2371   -3.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3548    1.8290   -0.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8572    2.8114   -0.2407 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3269   -1.1356    0.9181 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6115   -0.5823    2.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2689   -2.2882    2.2672 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4020   -0.6112    3.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0170   -2.0035    2.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2014   -0.5609   -2.6047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7762    0.5645   -4.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0046    1.8869   -2.7631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5344    1.9098   -3.7572 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