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
   -3.1302    0.3970   -0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2027    1.5626   -0.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9592    1.1770    0.4105 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1635    0.2613   -0.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5298   -0.2241   -1.3547 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1380   -0.1708    0.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8376   -1.0470   -0.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1512   -1.5059    0.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6202    0.3252    1.5334 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0246    0.7405    2.6086 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5320   -0.5308   -0.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9766    0.4049    0.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5664    0.4363   -1.3832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9991    2.0241   -1.1801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6746    2.3294    0.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4543   -1.4098   -1.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3657   -2.5581   -0.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9379   -0.8911   -0.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2046   -1.3206    1.2002 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