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
    2.2409   -0.6732    0.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0619   -0.4937   -0.3561 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0023    0.1673    0.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1297    0.5796    1.4137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2639    0.4103   -0.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3860   -0.0272   -1.6645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3330    1.0729    0.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1907    1.6280    0.7501 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5589   -1.7384    0.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0374    0.0123    0.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0291   -0.5168    1.4876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3001    0.1308   -2.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5865   -0.5519   -2.1430 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