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
   -0.0987    2.3498    0.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0190    1.1279   -0.0952 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0527   -0.1151    0.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1675   -0.2043    1.7253 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0381   -1.3361   -0.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1573   -1.2607   -1.5835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -2.5953    0.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0123   -3.6618    0.9023 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8482    2.9153    0.3306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1922    2.2599    1.6695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9222    3.0049    0.1826 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1883   -0.3261   -2.1002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2327   -2.1583   -2.1653 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