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

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
   -1.3067   -0.6316    1.9717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8278   -0.5538    0.6367 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2261    0.2761    0.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7367    0.9599    1.1996 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7258    0.3648   -1.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1898   -0.3498   -2.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8160    1.2377   -1.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7094    1.9274   -1.6646 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7790    0.1133    2.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0225   -1.6251    2.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3785   -0.4139    2.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5380   -0.3026   -3.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6273   -1.0023   -1.8027 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