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
    1.9554   -0.0886   -1.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9174    0.3477   -0.5840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0615   -0.4802   -0.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0270   -1.6955   -0.4096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1175    0.0426    0.8011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1059    1.3207    1.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1159   -0.8701    1.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9243   -1.5979    1.7080 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7632    0.1513   -2.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0510   -1.2078   -1.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8961    0.3767   -1.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3609    1.9941    0.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8701    1.7068    1.7510 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