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
   -1.7915   -0.5771    0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5023    0.1638    0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4507    1.2804   -0.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6937   -0.3450    0.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6435   -1.3954    1.3434 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8999    0.3604    0.5617 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8852   -0.0089   -0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9050   -0.7253   -0.3243 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3471   -0.6324   -0.7493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4257   -0.0434    0.9365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5975   -1.5827    0.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4426    1.8671   -0.7708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3551    1.6385   -1.0956 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