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
    1.7151   -0.7782   -2.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2259   -0.9444   -2.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4598   -0.0860   -1.2725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2873   -0.0642    0.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5419   -0.8831    0.5534 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0116    0.8354    0.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9476    0.9592    2.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0730    0.1568    3.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9584    1.7372    0.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7214    2.4522   -0.2020 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0922   -0.0599   -1.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0318   -0.3403   -3.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2248   -1.7657   -2.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0590   -2.0357   -1.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1926   -0.7293   -3.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5716    1.6913    2.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6340   -0.7047    3.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8184   -0.2691    2.6680 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2661    0.8285    3.9820 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