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
    0.8665   -2.2156    0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1812   -1.0006    0.3830 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2854    0.0294   -0.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0261   -0.0890   -1.5291 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4933    1.2262   -0.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2662    1.3593    0.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3852    2.3036   -1.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2848    3.1626   -1.9857 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140   -2.5974    1.2551 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7930   -2.0248   -0.3155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2574   -3.0162   -0.2091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8159    2.2774    0.8994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3782    0.5850    1.5047 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