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
    2.5226   -1.2696    0.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4104    0.2073    0.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2854    0.7536   -0.3941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0218    0.3389   -0.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1549   -0.5455    0.7399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1629    0.9252   -0.8345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3934    0.5425   -0.5894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6906   -0.5209    0.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    1.9390   -1.8185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7594    2.7717   -2.6006 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4995   -1.4827   -0.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5072   -1.8562    0.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7439   -1.6678   -0.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2981    0.7693   -0.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3930    0.4303    1.3709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2016    1.0011   -1.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2117   -1.4509    0.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3502   -0.1762    1.4449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7781   -0.7093    0.4957 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