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
   -1.7741   -0.1381    0.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4104    0.0169   -0.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0515    1.1710   -0.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4777   -1.1249   -0.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0950   -2.1857    0.4546 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7998   -0.9913   -0.5698 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5941   -0.1930    0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3642    0.7899    0.1991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2284   -1.0392   -0.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586   -0.3368    1.5376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3914    0.7663    0.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7631    1.9790   -0.6301 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9465    1.2860   -1.0226 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