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
   -1.3435   -0.6388   -0.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5453    0.3428    0.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1071    1.4652    0.5945 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8641    0.0579    0.5271 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5821    0.8676    1.1651 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4902   -1.1508    0.1241 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6412   -1.1833   -0.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7434   -0.9315   -0.9606 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9924   -0.1682   -1.3021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0215   -1.1525    0.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6617   -1.3228   -1.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1367    1.6386    0.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5127    2.1758    1.1429 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