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
    1.7030    1.7485   -0.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7338    0.8817   -0.1109 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3511   -0.3087    0.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1797   -1.2568    0.5908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0235   -0.8049    0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2489   -2.1133    0.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1232    0.0483   -0.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9885    0.7106   -0.6705 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7071    2.2055   -1.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7281    1.4002    0.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5962    2.6671    0.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4069   -2.7035    0.6412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2081   -2.4748    0.2382 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