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
    0.4805    1.9571    1.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3873    1.1015    0.3656 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1042   -0.1597    0.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5090   -0.6203    1.5229 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1696   -0.9909   -0.8024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6330   -2.1901   -0.7239 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1867   -0.3268   -2.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4457    0.1981   -3.0068 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2426    2.7366    1.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5251    2.3955    1.6755 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8274    1.2979    2.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6352   -2.7172   -1.7032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9942   -2.6817    0.1477 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