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
    2.3588   -0.4255   -0.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0969   -0.1402    0.4358 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0052   -0.0593   -0.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1984   -0.2428   -1.6353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3330    0.2292    0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5076    0.4191    1.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4078    0.2984   -0.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2940    0.3646   -1.6206 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1722    0.1040    0.4225 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5623   -1.5185   -0.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3794   -0.0351   -1.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5089    0.6335    1.6821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7220    0.3725    2.0501 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