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
   -2.9381    1.4778    0.7851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3270    0.0957    0.6326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9995    0.2399    0.1666 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2484   -0.8895   -0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7813   -2.0054    0.1869 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1191   -0.8897   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7137    0.2532   -0.7737 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1245    0.3132   -1.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8429   -2.0978   -0.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252   -3.0977   -0.8670 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0667    1.7478    1.8566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9450    1.4782    0.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2788    2.2395    0.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3809   -0.4051    1.6136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9232   -0.5111   -0.1045 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    1.1988   -0.6385 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1767    0.0571   -2.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5729    1.2956   -1.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7068   -0.5007   -0.7552 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