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
   -0.6357    0.6848    0.9529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5437   -0.0177   -0.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4200    0.2992   -1.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4704   -1.0108   -0.5784 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5808   -1.6264   -1.6653 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4024   -1.3351    0.4422 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3748   -0.5472    0.6649 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0982    0.2383    1.3021 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3626    1.1854    1.1005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7140   -0.1048    1.7416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4620    1.4027    0.9813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1606    1.0464   -1.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3532   -0.2150   -2.2381 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