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
    2.3765    0.1017    1.4928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9231    0.8354    0.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5345    0.5895   -0.0164 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1011   -0.7027   -0.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9688   -1.6091   -0.2012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2910   -1.0596   -0.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2319   -0.1454   -0.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9630    1.3000   -0.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6689   -2.4231   -0.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9761   -3.5405   -0.9310 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5846    0.8063    2.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5958   -0.6021    1.8869 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2657   -0.5377    1.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5510    0.5025   -0.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1048    1.9250    0.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2390   -0.4549   -0.8073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5142    1.5094    0.6182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8959    1.8794   -0.4219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2259    1.6260   -1.1457 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