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
   -0.4338    0.6028   -3.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4463   -0.5107   -2.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1645    0.0855   -1.3044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0965   -0.6427   -0.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3004   -1.8803   -0.2166 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1986    0.0093    1.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2576   -0.7087    2.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5567   -0.0561    3.5526 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4191    1.4254    1.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5976    2.5690    1.1931 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.5613   -3.0997 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5918    0.6953   -4.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1447    0.3754   -4.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2137   -1.3369   -2.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5196   -0.8479   -2.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0957   -1.7594    2.2511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4029    0.2085    4.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2015   -0.6800    4.2055 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0910    0.8902    3.3315 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