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
    0.8199   -2.4167   -1.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6082   -0.9597   -1.5896 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1867   -0.2526   -0.4399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0885    1.0868   -0.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0385    1.7040   -1.5600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5206    1.8093    0.7085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6821    1.2565    1.8841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4275   -0.1895    2.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7960    3.2369    0.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0131    4.3709    0.5233 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0050   -3.0528   -2.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6623   -2.4574   -0.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0797   -2.8004   -0.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.5465   -1.9605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1831   -0.9554   -2.3901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0063    1.8315    2.7406 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6222   -0.4413    1.8332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1178   -0.7467    1.4177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5933   -0.4767    3.1590 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