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
    1.9599   -1.1969   -0.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6970   -0.8663   -0.1881 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2472    0.4408   -0.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    1.3142   -0.6387 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0600    0.7111    0.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7807   -0.2794    0.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6206    2.0322    0.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0831    3.1115    0.4956 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3977   -1.9664   -0.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5660   -0.2662   -0.7392 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8223   -1.6110   -1.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3840   -1.2790    0.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7784   -0.1447    1.2650 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