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
    1.6611   -1.5731    1.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6767   -0.5293    1.0672 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1005   -0.1646   -0.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4685   -0.7825   -1.1567 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8924    0.8741   -0.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3913    1.1566   -1.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3865    1.6485    0.8478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7986    2.2575    1.7442 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5907   -1.1760    0.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3079   -2.5000    0.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8787   -1.7647    2.2192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0804    0.6279   -2.3673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1351    1.9254   -1.6226 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