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
    2.3544    0.3844   -0.5461 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0605    0.7102   -0.0716 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0770   -0.2809   -0.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3878   -1.4099   -0.5671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2728   -0.0610    0.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1644   -1.0153    0.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6226    1.2228    0.8594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9050    2.2686    1.3006 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0396    1.2266   -0.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3827    0.3307   -1.6710 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7240   -0.5705   -0.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1901   -0.8276    0.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8710   -1.9782   -0.1072 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