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
   -1.1572   -1.0397    0.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6054    0.3052    0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4041    1.3514    0.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7688    0.4357   -0.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2299    1.5569   -0.7245 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5622   -0.7373   -0.5085 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8073   -0.7252   -0.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0582   -0.6049   -0.3617 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9680   -1.2374   -0.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3595   -1.8112    0.3274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5308   -1.0484    1.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4218    1.2382    0.4784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9796    2.3167   -0.1300 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