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
   -1.7719    0.4415   -0.3929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4719   -0.0182    0.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3631   -1.2350    0.6988 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6638    0.8702    0.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5377    2.0012   -0.4200 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8961    0.4565    0.6024 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7544   -0.2461   -0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5920   -0.5211   -0.8961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7774    1.5584   -0.4514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8313    0.0420   -1.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6313    0.1170    0.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5870   -1.5517    1.0917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1839   -1.9147    0.7613 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