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
   -1.6448   -0.8465    0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4915    0.0482    0.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3247    0.7329   -1.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4751    0.1848    1.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875   -0.4894    2.1856 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6177    1.0493    1.0093 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7133    0.5748    0.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7422   -0.0931    0.2823 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4078   -1.9189    0.0551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4606   -0.6055   -0.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161   -0.7122    1.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0195    0.6715   -1.8794 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5291    1.4042   -1.1810 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