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
    2.0424    0.2536   -1.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5547    0.2534   -1.9635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0686    0.1987   -0.6981 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0933   -0.8141    0.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8480   -1.7678   -0.0960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5571   -0.8563    1.5125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3745    0.1148    1.9168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6734    1.2939    1.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3189   -1.9661    2.3929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1230   -2.8777    3.1125 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4776    1.2664   -2.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399   -0.1494   -0.9324 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345   -0.4037   -2.6973 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2389    1.2431   -2.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2041   -0.5168   -2.6568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8394    0.0531    2.8873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4683    1.8955    1.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7680    1.8934    0.8425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1422    0.8858    0.1273 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