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
   -1.1985   -1.3058   -1.8153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7686   -0.8302   -0.5557 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1879    0.1809   -0.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6110    0.6096   -1.6365 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6871    0.7293    0.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2447    0.2812    1.8889 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6702    1.7665    0.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4678    2.6311    0.5912 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1218   -0.4853   -2.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2933   -1.5805   -1.7684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6146   -2.1935   -2.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4984   -0.5032    1.9225 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6266    0.6999    2.8071 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