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
   -1.6043    0.9935    0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5650   -0.0752    0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8988   -1.2970   -0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7825    0.2490    0.4563 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0923    1.4342    0.7795 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7936   -0.7469    0.5009 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8945   -0.5705   -0.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9916   -0.1468   -0.5631 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6209    0.5980    0.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5219    1.4691   -0.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3103    1.7574    0.7633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875   -1.5956   -0.5910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1459   -2.0692   -0.2561 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