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
    1.4033    2.1849    0.7881 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5065    1.2337    1.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1385    0.1351    0.6969 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5489    0.4203   -0.4664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8312    1.6104   -0.7500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9687   -0.6335   -1.3986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7019   -1.9024   -1.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0302   -2.3584    0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6941   -0.3030   -2.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2874   -0.0542   -3.5868 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2547    2.4403    1.4458 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7905    1.6377   -0.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8391    3.0757    0.4981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4400    1.7516    1.7932 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0145    0.8617    2.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0240   -2.6616   -1.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -3.4499    0.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5877   -2.0627    0.9388 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0564   -1.9256    0.1276 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