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
   -1.1910   -0.8857   -0.7224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5555    0.3207   -0.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2866    1.3860    0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8629    0.3077    0.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3774    1.3454    0.6249 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6054   -0.8740   -0.0939 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5944   -0.8662   -0.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8177   -0.8445   -1.1707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4743   -1.7507   -0.7235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0281   -1.1856   -0.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5265   -0.6406   -1.7546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3396    1.3987   -0.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8563    2.2889    0.4533 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