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
    0.9765   -0.0876   -1.8525 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2143    0.3895   -0.7911 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1767   -0.2980    0.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8632   -1.3622    0.4881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6164    0.1917    1.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6335   -0.4763    2.6616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3488    1.3959    1.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9843    2.4092    1.2793 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7618    0.6425   -2.2072 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3495   -0.3103   -2.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214   -0.9939   -1.5668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2124   -0.1226    3.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0680   -1.3779    2.7556 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