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
    1.8013   -1.2794    0.9104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7601   -0.8536    0.0899 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0722    0.3115    0.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4260    0.9449    1.3983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0238    0.7544   -0.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3488    0.0289   -1.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7494    1.9538   -0.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3386    2.9252    0.0427 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6620   -0.5705    0.9196 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4977   -1.4415    1.9642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2032   -2.2344    0.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1546    0.3438   -2.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8075   -0.8832   -1.7794 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