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
    1.8885   -1.5827   -0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6362   -1.0279    0.2917 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2258    0.2245   -0.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0040    0.8420   -0.9016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0617    0.7078    0.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4801    1.8887   -0.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9334   -0.0465    1.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6527   -0.6419    1.8453 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7442   -2.4625   -0.7351 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4860   -1.8638    0.8075 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4211   -0.8061   -0.7013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8395    2.4672   -0.7815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4384    2.3011    0.1625 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