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
    1.6218   -0.2618    1.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8282    0.2952    0.5936 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0504   -0.4201   -0.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1731   -1.6543   -0.0022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    0.2786   -1.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6758   -0.3530   -1.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6511    1.6918   -1.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5372    2.8345   -1.5472 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5187   -1.3569    1.7071 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2943    0.1868    2.5760 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6928    0.0056    1.4041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2351    0.1702   -2.7451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8205   -1.4165   -1.8766 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