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
    1.5971   -1.7854   -1.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -0.4767   -1.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0202    0.0275   -1.3865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1466    0.2845   -0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8304    0.0592    0.7346 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3694    0.8032    0.5604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4621    1.0358    1.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3446    0.7899    2.7851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5072    1.0695   -0.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4251    1.2697   -0.9692 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6907   -1.7795   -1.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0702   -2.0229   -0.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3732   -2.6456   -1.9218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1303   -0.6211   -2.9397 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0086    0.2657   -1.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4094    1.4298    2.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6890    1.0913    3.8185 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5017    1.4794    2.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0410   -0.2742    2.8534 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