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
    2.4207    0.4607    0.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0476    0.6925    0.3376 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1061   -0.3174    0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5636   -1.4012   -0.3355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3174   -0.0941    0.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1616   -1.0625    0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7772    1.1713    0.7959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1680    2.2078    1.1954 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5226    0.2491   -0.9891 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9815    1.3830    0.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8272   -0.3686    0.7204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8383   -2.0165   -0.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2069   -0.9040    0.2272 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