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
    2.4270    0.3373    0.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1265   -0.0425   -0.2478 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0144    0.1865    0.5369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1916    0.7387    1.6459 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3442   -0.1622    0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5547   -0.7452   -0.9868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4763    0.0878    1.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3966    0.3068    1.7003 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4988    0.2478    1.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6369    1.3724   -0.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1620   -0.3186   -0.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7436   -0.9708   -1.6818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5417   -1.0380   -1.3303 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