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
    0.1030   -1.0480   -2.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8391   -1.3526   -1.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3563   -0.4865   -0.2401 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7386   -0.3790    1.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6400   -1.1671    1.4520 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1489    0.5914    1.9898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7936    1.3803    1.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3219    1.4009    0.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6489    0.6196    3.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0264    0.6439    4.4187 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4674   -0.0845   -2.4056 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7607   -1.0772   -3.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6345   -1.8396   -2.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9385   -1.1319   -1.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6985   -2.4400   -0.9903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1937    2.0793    2.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5934    1.5710   -0.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8436    0.4596   -0.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0507    2.2603    0.1062 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