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
   -2.3604   -0.8239    0.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9359   -0.9669    0.1842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1397    0.1851    0.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8359    1.2457    0.4392 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2618    0.3165    0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1961   -0.5428    0.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7083    1.7855   -0.0251 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0515    2.9345   -0.1632 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7588   -0.8358   -0.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7694   -1.6308    0.8566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6460    0.1603    0.6599 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9698   -1.6131    0.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2585   -0.2145    0.0391 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