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
   -2.9380    0.6322    0.6296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4649   -0.0504   -0.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0632    0.0466   -0.6830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3059   -0.5060    0.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8696   -1.0894    1.2704 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1327   -0.4000    0.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7313    0.2119   -0.7216 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2061    0.3007   -0.7446 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9210   -0.9730    1.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5753   -1.4308    2.1525 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0978   -0.1709    1.3836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8991    1.1417    0.5021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2065    1.3229    1.0472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7568   -1.1030   -0.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9081    0.5308   -1.4993 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1609    0.6523   -1.5222 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5729    1.2513   -1.2085 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5576   -0.5055   -1.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521    0.1388    0.2574 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