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
    1.5437   -1.7415   -1.6158 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2180   -0.2730   -1.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3629   -0.1060   -0.3283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0495    1.1814   -0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3603    2.1419   -0.7297 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9203    1.4857    1.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3559    0.5077    1.8642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0304   -0.9076    1.6824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2960    2.8316    1.3658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828    3.9338    1.5774 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7113   -2.3082   -1.1690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4870   -2.0311   -1.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6842   -1.9663   -2.6831 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1259    0.3351   -1.2671 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6925    0.0530   -2.3635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0150    0.7854    2.6982 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -1.1311    1.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3810   -1.2823    0.6753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6092   -1.5085    2.4091 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