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
   -1.3342    1.3440   -0.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5523    0.0834   -0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1519   -1.0083   -0.5391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8225    0.0464    0.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3613    1.1056    0.7925 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392   -1.1761    0.3721 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7656   -1.2688    0.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9961   -1.1336    0.1534 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2520    1.2144    0.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7498    2.1805    0.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6372    1.5859   -1.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6360   -1.9629   -0.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1713   -1.0106   -0.8982 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