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
   -1.4637   -1.0104    0.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5640   -0.0353   -0.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0137    0.7109   -1.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    0.1041    0.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2164   -0.6284    1.1468 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6470    1.0417   -0.4514 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9321    0.9322   -0.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9963    0.5752   -1.0277 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1078   -1.5600   -0.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9028   -1.7756    1.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1167   -0.4464    1.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0430    0.6556   -1.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3926    1.4363   -1.7195 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