Monomers

Methacryloyl isocyanate

Identifiers

IUPAC name
2-methylprop-2-enoyl isocyanate
InchI
InChI=1S/C5H5NO2/c1-4(2)5(8)6-3-7/h1H2,2H3
InchI Key
JEHFRMABGJJCPF-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)N=C=O
Canonical SMILES
CC(=C)C(=O)N=C=O
Isomeric SMILES
CC(=C)C(=O)N=C=O
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
46.5
MolLogP
0.4249
H Bond Acceptors
2
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
   -1.5132   -1.0330   -0.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5803    0.0308   -0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0269    1.1065    0.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8437   -0.0865   -0.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3300   -1.1060   -0.9540 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7287    0.9362    0.0263 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9382    0.7540    0.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9950    0.3060    0.8099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2517   -1.4188   -1.5201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5599   -0.7159   -0.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4244   -1.9141    0.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0872    1.2192    0.7141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3918    1.9217    0.8292 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  2  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  3 12  1  0
  3 13  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers