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
    2.2273   -0.9938    0.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1854   -0.0484    0.4171 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0720   -0.3220   -0.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2301   -1.4694   -0.6060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1349    0.6710   -0.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2912    0.3595   -0.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9747    1.9882    0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8417    3.0570    0.8278 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5049   -1.3392    1.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1265   -0.4800   -0.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0288   -1.8572   -0.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1023    1.0568   -0.6851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4260   -0.6225   -1.0668 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