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
    2.2494    0.5167    0.7128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1017   -0.1364    0.2016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1329    0.4788    0.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2032    1.6648    0.5441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2647   -0.2498   -0.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1037   -1.4896   -0.8165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5528    0.3781   -0.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5954    0.8872   -0.5317 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0513    0.6596    1.8141 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033   -0.1884    0.5517 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    1.4961    0.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9405   -2.0627   -1.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1342   -1.9545   -0.7538 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