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

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
    0.0559   -1.3422    2.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3496   -1.0551    0.6985 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0433    0.1425    0.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6365    1.0088    1.0775 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0409    0.6988   -1.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7276    0.2309   -2.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8221    1.8679   -1.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5745    2.8608   -1.7288 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9371   -1.7603    2.5558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3389   -0.4945    2.6382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7791   -2.1180    2.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7919    0.6760   -3.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2914   -0.7156   -1.9786 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