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
   -1.4592    1.1171    0.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5942   -0.0277    0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0927   -1.2350   -0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8084    0.1882   -0.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2918    1.3445   -0.1892 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7092   -0.8726   -0.5633 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9028   -0.8059   -0.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1162   -0.5260    0.0824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3493    1.9561   -0.3904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5242    0.8372    0.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1562    1.5233    1.3588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5132   -2.1175   -0.2639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1395   -1.3817    0.1688 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