Monomers

Methyl 2-cyanoacrylate

Identifiers

IUPAC name
methyl 2-cyanoprop-2-enoate
InchI
InChI=1S/C5H5NO2/c1-4(3-6)5(7)8-2/h1H2,2H3
InchI Key
MWCLLHOVUTZFKS-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)C#N
Canonical SMILES
COC(=O)C(=C)C#N
Isomeric SMILES
COC(=O)C(=C)C#N
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H5NO2
Heavy Atom Count
8
Molecular Weight
111.1
Exact Molecular Weight
111.032
Valence Electrons
42
Radical Electrons
0
tPSA
50.09
MolLogP
0.2392
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

 13 12  0  0  0  0  0  0  0  0999 V2000
    1.9946   -1.2873   -0.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0185   -0.3590   -0.1959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.4216   -0.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7941   -1.5410   -0.6713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1947    0.6281    0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5864    1.7965    0.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5342    0.6232    0.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7722    0.6324    0.7350 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7994   -2.2100    0.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0109   -0.8660   -0.1619 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1623   -1.5188   -1.6234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2145    2.6290    0.9195 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690    1.8945    0.4407 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  3  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  6 12  1  0
  6 13  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers