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
   -1.3824    0.8662   -0.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5662   -0.3545    0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1301   -1.5360    0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8841   -0.2704    0.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6246   -1.2772    0.1721 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5355    1.0026   -0.1360 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7178    1.0399   -0.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8943    0.9794   -1.0043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1431    1.6288    0.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1982    1.3660   -1.1131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4654    0.6396   -0.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5650   -2.4488    0.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2059   -1.6356    0.1926 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