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
    2.6673    0.7629   -1.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2898    1.2658   -1.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3606    0.9048   -0.7385 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0954   -0.4422   -0.4399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7383   -1.2835   -1.1196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -0.8189    0.5904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4952    0.1168    1.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4719   -0.2982    2.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0616   -2.2201    0.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2093   -3.3703    1.0192 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2273    0.5071   -2.4147 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7073   -0.0779   -0.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2664    1.5879   -0.9983 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2998    2.3845   -1.7645 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9765    0.9480   -2.7533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3018    1.1573    1.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8358    0.6236    2.8095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0262   -0.9567    3.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3642   -0.7910    1.8793 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