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
    2.4027   -0.5602    0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1765    0.0685   -0.3642 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0365   -0.1923    0.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1009   -0.9723    1.3433 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2341    0.4079    0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2987    0.1309    0.7498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3067    1.2966   -1.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3645    2.0064   -2.0081 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9232    0.0418    0.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9851   -0.7080   -0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228   -1.5526    0.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2716    0.5675    0.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2720   -0.5343    1.5956 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