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
   -1.5906   -0.8256   -0.5521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793   -0.0309    0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4159    0.0791    1.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5312    0.6235   -0.7849 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4972    0.5366   -2.0336 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5858    1.3785   -0.2188 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7011    0.8574    0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6503    0.1305    0.4365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5340   -0.3246   -0.2236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5632   -0.8339   -1.6575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6162   -1.8466   -0.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3871    0.6541    1.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1536   -0.3980    1.9395 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