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
    1.3980    1.8626    0.8142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6491    0.6242    0.8136 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0032    0.2259   -0.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2379    1.0990   -1.3302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7275   -0.9097   -0.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4353   -1.6451   -1.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7015   -1.6898    0.9029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6737   -2.2925    1.9149 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2952    1.7089    0.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7170    2.6703    0.4219 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921    2.1176    1.8394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9467   -2.5317   -1.1396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5079   -1.2397   -2.3327 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