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
    2.8609   -2.0149   -0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9243   -1.3575   -1.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9094   -0.6950   -0.2582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0908    0.0553   -0.9037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0817    0.1300   -2.1361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0530    0.6953   -0.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3343    0.7863    1.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5344    1.6587    1.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9838    1.6616   -0.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5960    2.2728   -1.5326 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3839   -2.9208    0.3739 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0979   -1.2452    0.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7904   -2.3175   -0.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5135   -2.0391   -1.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5165   -0.5444   -1.5277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504    0.3362    2.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0209    1.2301    2.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2164    1.5955    0.6661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2351    2.7126    1.6921 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