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
    1.5613    1.5519   -1.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3353    1.0749   -0.6079 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2512   -0.1574    0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3513   -0.7961    0.1208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9941   -0.7130    0.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9570   -1.8925    1.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2217    0.0311    0.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2104    0.6193    0.2878 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1054    1.9515   -0.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2025    0.7128   -1.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4922    2.3584   -1.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8778   -2.3065    1.4806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0382   -2.4345    1.1929 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