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
   -1.6091   -0.9593    0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5472    0.0691    0.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6433    1.2510    0.6392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6257   -0.2555   -0.7504 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7651   -1.3642   -1.3276 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6796    0.6864   -0.9177 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8692    0.4726   -0.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8259    0.2527    0.2393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1742   -1.8253    0.7127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8937   -1.2639   -0.8372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4595   -0.5200    0.7500 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0992    2.0113    0.5649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5378    1.4451    1.2282 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