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
   -1.7922   -0.3949    0.6085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5451    0.2419    0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6368    1.3945   -0.5853 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7431   -0.3897    0.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8522   -1.4865    0.7810 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9189    0.1960   -0.3382 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9964   -0.4485   -0.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9386   -1.1971   -0.8167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3942    0.4384    1.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2876   -0.9584   -0.1879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4757   -1.1127    1.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5747    1.8816   -0.7025 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2570    1.8352   -0.9805 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