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
   -1.7152   -0.6802    0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4547    0.1081   -0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3522    1.1777    0.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6057   -0.3210   -0.9055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4634   -1.3432   -1.6117 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7981    0.4181   -0.9712 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7622    0.0591   -0.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5574    0.0910    0.7243 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6142   -1.5539    0.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5718   -0.0919    0.4099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9043   -1.0474   -0.9827 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5835    1.7364    0.6792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1578    1.4471    1.3791 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