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
   -2.3429   -0.5786   -0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9447   -0.7432    0.1055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1628    0.3733   -0.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7198    1.4574   -0.3999 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2890    0.3670   -0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8677   -0.7715    0.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0924    1.5271   -0.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7361    2.4902   -0.4191 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8407   -1.4085    0.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6753   -0.5901   -1.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5819    0.4077    0.4602 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9456   -0.8366    0.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3371   -1.6944    0.4815 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