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
    2.1051    0.7388    1.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2277    0.2793    0.1686 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0904    0.0719    0.5153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4844    0.2856    1.6821 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0322   -0.3960   -0.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2939   -0.5962   -0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5886   -0.6432   -1.8091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2092   -0.8588   -2.9030 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4371   -0.1484    1.7634 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9861    1.1766    0.6574 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6002    1.4482    1.8493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6311   -0.4115    0.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0265   -0.9462   -0.8574 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