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
    2.7759   -0.6860   -0.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2161   -0.0472    0.7229 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0602    0.6901    0.5498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1482    0.1947    0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1352   -1.0060   -0.2148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3265    1.0145   -0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4181    0.4683   -0.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5488   -0.9573   -0.9311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2427    2.4148    0.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1907    3.5376    0.5672 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1244   -1.4203   -0.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1401    0.1062   -1.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6884   -1.2529   -0.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1396   -0.8457    1.5117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    0.6554    1.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3291    1.0848   -0.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5943   -1.1951   -1.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8450   -1.1626   -1.7647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3640   -1.5934   -0.0376 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