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
   -1.7875   -0.5072   -0.2352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4398   -0.0118    0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1359   -0.3391    1.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2974    0.8392   -0.8558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2356    1.1619   -1.9485 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5885    1.3269   -0.5909 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6430    0.6553   -0.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5224   -0.1951   -0.8868 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4085   -0.5801    0.6913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3354    0.1272   -0.9672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7226   -1.5173   -0.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1320    0.0031    1.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3898   -0.9630    1.8972 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