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
   -2.7522    1.6769   -0.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5369    1.7393    0.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4097    1.2998    0.3440 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6714    0.9566   -0.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2510    1.8195   -0.8967 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2479   -0.3552   -0.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9451   -1.3813    0.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8270   -2.6292    0.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1091   -0.7903   -1.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7367   -1.1083   -2.2716 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3774    1.8492   -1.0404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5128    2.3558    0.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1273    0.6274   -0.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4848    2.7807    1.2846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8526    1.1603    1.8313 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1692   -1.4915    1.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -2.5170    1.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232   -2.4948   -0.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1981   -3.4977    0.3799 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