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
    2.1243   -0.0848   -1.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0702   -0.5414   -0.4215 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0139    0.3114   -0.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0476    1.4679   -0.5947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0913   -0.1423    0.7006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0706    0.6861    0.9587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1631   -1.4599    1.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2168   -2.5248    1.7193 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7298    0.6872   -0.6933 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7946   -0.8856   -1.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241    0.4055   -2.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0567    1.6835    0.5648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9062    0.3973    1.5639 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