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
    3.0561    1.0104    0.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6802   -0.3244   -0.3554 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3108   -0.4059   -0.7076 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2760   -0.2162    0.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138    0.0387    1.3756 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1267   -0.3039   -0.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0767   -0.1172    0.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5240   -0.1932    0.3888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5431   -0.5968   -1.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8783   -0.8084   -2.6253 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1861    1.6569    0.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6696    1.5457   -0.5633 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557    0.9638    1.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9759   -1.1128    0.3651 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2595   -0.5280   -1.2779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8268    0.1061    1.7491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0425    0.6798    0.8238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6936   -0.2557   -0.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9720   -1.1390    0.8152 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