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
   -1.4643   -1.1228    0.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4633   -0.0550    0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5348    0.7958   -0.9907 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6404    0.1040    0.9767 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7229   -0.6797    1.9456 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6175    1.1155    0.8195 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5754    0.8673    0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2681    1.0129   -1.0111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9765   -2.0672    0.6111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9270   -1.3872   -0.7396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3018   -0.8245    0.9032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3585    0.6678   -1.6770 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2019    1.5731   -1.1256 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