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
   -2.0318    0.1627   -1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9338   -0.3313   -0.6543 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0013    0.5004   -0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1178    1.7298   -0.2095 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1239   -0.0502    0.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2843   -1.3524    0.7825 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1182    0.8289    1.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9014    1.5403    1.6987 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500    0.2754   -0.7841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2631   -0.6033   -2.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8392    1.0979   -1.9068 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5854   -2.0682    0.3654 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1211   -1.7300    1.3243 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