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
   -2.1835   -0.4245   -2.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2815   -1.5133   -2.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1822   -1.0087   -1.4433 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3011   -0.2753   -0.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4403   -0.0144    0.1607 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8544    0.2219    0.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7377    0.9270    1.5391 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9333    1.4182    2.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1624   -0.0726   -0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2257   -0.3305   -0.4974 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4472   -0.5957   -3.7276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1283   -0.4029   -2.0659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6756    0.5651   -2.5886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8520   -2.0406   -3.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8418   -2.2888   -1.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2249    1.1784    1.9716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0084    2.5220    2.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7674    1.2099    3.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8692    0.9248    1.9207 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