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
    1.9806   -1.4830    0.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145   -0.3077   -0.1411 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1294   -0.2778    0.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6740   -1.3473    0.5911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9558    0.9094   -0.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2309    0.8708    0.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3579    2.1217   -0.5104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1233    3.1261   -0.9023 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7448   -1.2306    0.8124 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4684   -1.7343   -0.9334 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3285   -2.3391    0.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8671    1.7353    0.1682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6450   -0.0436    0.6549 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