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
    2.2928    0.4215    0.5162 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8961    0.4331    0.6702 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0586   -0.1416   -0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5476   -0.6978   -1.2570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4143   -0.1351   -0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2056   -0.6228   -0.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9052    0.4665    1.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3450    0.9742    2.1977 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7957   -0.4576    0.9595 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7651    1.2979    1.0313 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5799    0.5556   -0.5486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8733   -1.0344   -1.6403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1922   -1.0595   -1.7568 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