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
    2.3377   -0.2672   -0.7529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1029   -0.5255   -0.0954 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0154    0.3260   -0.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1263    1.3351   -0.9179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2124   -0.0015    0.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2434    0.8077    0.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3002   -1.1856    1.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3584   -2.1536    1.9547 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6272    0.7935   -0.6643 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0950   -0.9241   -0.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1898   -0.4954   -1.8126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1894    1.6864   -0.2282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1906    0.6040    0.8724 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