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
    2.3644   -0.3399   -0.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0891   -0.3715    0.1059 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0350    0.1978   -0.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1989    0.7288   -1.7335 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138    0.2199   -0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5105   -0.3236    1.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4192    0.7994   -0.7435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3103    1.2855   -1.3012 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5404   -1.3636   -0.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1504   -0.1006    0.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4039    0.3873   -1.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5045   -0.3385    1.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7238   -0.7809    1.7182 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