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
   -0.6481    1.2173    0.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6330   -0.1799    0.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7105   -0.7444   -0.3837 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5912   -0.9385    0.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -2.1352   -0.2083 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8130   -0.3852    0.6866 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7557   -0.1437   -0.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5693    0.5263   -0.8288 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1043    1.4216    1.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4778    1.8610   -0.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6636    1.4663    0.9517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7135   -1.7682   -0.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6413   -0.1974   -0.4529 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