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
   -0.2072   -2.3248   -0.8911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4644   -0.9461   -0.7541 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2951   -0.1839    0.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2314   -0.7413    0.7385 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0889    1.1966    0.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8242    1.9691   -0.3362 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9889    1.9882    1.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5687    2.5220    1.8839 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7283   -2.7253   -1.7861 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8978   -2.4008   -1.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4421   -2.8625    0.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9040    3.0130   -0.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5004    1.4958   -1.0308 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