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
   -1.2553   -0.9861   -0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6141    0.3517   -0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2908    1.4717   -0.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8035    0.3979    0.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    1.5210    0.3807 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5141   -0.8203    0.3957 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7624   -0.9364    0.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9836   -0.8093    0.5037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2574   -1.4303    0.8207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2784   -0.9322   -0.5822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6271   -1.6369   -0.8581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3412    1.4019   -0.4349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7780    2.4073   -0.0862 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