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
   -0.1588   -1.2986    2.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3644   -0.2093    1.2182 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1588   -0.2534   -0.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8080   -1.2883   -0.3889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0177    0.8165   -1.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4991    0.7100   -2.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7511    1.9944   -0.6910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3367    2.9713   -0.4176 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5518   -1.0509    3.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6850   -2.1829    1.7096 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9315   -1.4863    2.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4172    1.4573   -3.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0509   -0.1800   -2.4813 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