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
    1.2278    0.2298    2.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7634   -0.1742    0.8141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2781    0.4142    0.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8627    1.3808    0.7141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6756   -0.0805   -1.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0607   -1.0905   -1.7324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7856    0.5103   -1.8912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6589    0.9919   -2.4616 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8259   -0.5873    2.5673 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7522    1.1872    2.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2895    0.2826    2.7187 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7808   -1.5764   -1.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3179   -1.4879   -2.6877 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