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
    1.2334   -1.2727   -1.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7330   -0.8070   -0.4214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1961    0.2312   -0.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5643    0.7278   -1.4559 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7065    0.7071    0.9123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3056    0.1714    2.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6558    1.7725    0.9132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4151    2.6452    0.9272 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3170   -1.0341   -1.6762 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750   -2.3491   -1.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7728   -0.6973   -2.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4087   -0.6343    2.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6966    0.5392    2.9735 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