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
    2.4682   -0.0355   -0.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1378    0.4544   -0.0372 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0493   -0.3730    0.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2816   -1.5788    0.4977 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3111    0.1779    0.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2945   -0.6280    0.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5721    1.5691    0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8009    2.6997   -0.1627 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1378    0.5428    0.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8456    0.2090   -1.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5161   -1.0986    0.1633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1310   -1.6603    0.7979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3269   -0.2786    0.6428 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