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
    2.3910   -0.1493   -0.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0065   -0.4287   -0.5982 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1228    0.2363    0.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5324    1.0796    1.0484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2928   -0.0493    0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1254    0.5914    0.9229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7872   -1.0362   -0.8289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1749   -1.8058   -1.5995 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9906   -0.8008   -1.1529 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6964   -0.3234    0.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5642    0.9372   -0.7203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1939    0.4399    0.9192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7298    1.3092    1.6165 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