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
   -1.4039    0.8715    0.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5575   -0.3552    0.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -1.5125    0.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8930   -0.2859    0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5671   -1.3267    0.0737 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5254    0.9704   -0.1136 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    1.0639   -0.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.1564   -0.1855 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8560    0.9726   -0.7145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2476    0.6909    0.9925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7946    1.7517    0.5856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2021   -1.5858    0.6115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5630   -2.4113    0.4564 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