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
    0.8337    0.8427    2.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    0.0120    1.1471 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625    0.3389   -0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7114    1.4121   -0.5712 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4731   -0.4498   -1.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0995   -1.5684   -0.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3751   -0.1228   -2.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2857    0.1963   -3.7488 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0492    1.0616    2.8743 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7010    0.3190    2.5350 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1852    1.8049    1.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9859   -1.5853    0.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5987   -2.2612   -1.2688 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