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
   -1.4461   -0.8819   -0.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4826   -0.0819   -0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5399   -0.1781    1.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4928    0.7802   -0.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5384    0.8638   -1.8700 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3843    1.5183    0.1792 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647    1.0693    0.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5861    0.6100    0.9177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9228   -1.3049   -1.7299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7722   -1.7562   -0.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2880   -0.2134   -1.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2601   -0.8154    1.7832 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1453    0.3904    1.8910 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