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
   -0.8817    1.2352    0.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6172   -0.1605   -0.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6285   -1.0053   -0.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7017   -0.5967   -0.4772 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9077   -1.7653   -0.8365 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7652    0.3205   -0.4416 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7943    0.0998    0.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0134   -0.0014    0.4903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1598    1.1741    1.4237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0064    1.8765    0.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7705    1.5925   -0.2179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6210   -0.7218    0.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4972   -2.0477   -0.4295 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