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
   -0.8160    2.1653   -0.8684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2564    1.2306    0.0421 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0954   -0.1238   -0.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4788   -0.4370   -1.4530 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4780   -1.0831    0.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5922   -2.3278    0.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8959   -0.6623    1.9343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2533   -0.3203    2.9818 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0981    3.0002   -0.9501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8066    2.5289   -0.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9631    1.7455   -1.8739 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2822   -2.6544   -0.7414 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0129   -3.0618    0.8991 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