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
    2.4107    0.1462    0.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0907   -0.3245    0.3004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0005    0.4928    0.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1445    1.7323    0.2982 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3679   -0.0464    0.5231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5315   -1.3437    0.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4872    0.8386    0.5903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3885    1.5656    0.6387 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4748    1.2308   -0.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0255   -0.0479    1.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8970   -0.4626   -0.6572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5350   -1.7229    0.7104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7326   -2.0584    0.5530 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