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
   -2.0866   -0.4955   -1.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8240    0.0309   -0.9588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1539   -0.2086    0.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7301   -0.9488    1.0667 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1555    0.3511    0.5227 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7408    0.0835    1.6735 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8540    1.1983   -0.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4313    1.8860   -1.1647 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4283   -0.0511   -2.2355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8054   -0.1646   -0.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1004   -1.5952   -1.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7095    0.4655    1.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.5515    2.3880 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