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
   -2.2621   -0.7002   -0.7287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8936   -0.3159   -0.8093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1420   -0.0254    0.3075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7183   -0.1129    1.4209 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2566    0.3665    0.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9238    0.6312    1.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8997    0.4616   -1.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4071    0.5520   -2.1008 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3746   -1.7930   -0.7168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7771   -0.2346   -1.5971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7355   -0.3127    0.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.5643    2.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9541    0.9190    1.2611 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