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
   -1.5983   -0.9034   -0.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4809    0.0303   -0.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3435    1.1359   -0.7272 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4733   -0.3101    0.9821 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3919   -1.3662    1.6720 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    0.5931    1.2256 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6659    0.3729    0.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4969    0.5470   -0.2801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9160   -1.4161    0.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2572   -1.6669   -1.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4452   -0.2903   -0.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4809    1.8151   -0.5344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0219    1.4588   -1.5176 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