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
    2.2696   -0.3771   -0.8264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9242   -0.5974   -0.5437 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1700    0.3456    0.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6387    1.4259    0.4804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2303    0.0513    0.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9965    0.9063    0.9933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8248   -1.2026   -0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3050   -2.2003   -0.3879 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6516    0.5244   -0.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8946   -1.2264   -0.4713 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -0.2033   -1.9079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0286    0.7065    1.1959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5804    1.8470    1.3122 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