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
   -1.5732    1.0097    0.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5763   -0.0452    0.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9529   -1.3333    0.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8053    0.3099   -0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1335    1.5212   -0.0469 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7557   -0.7062   -0.3221 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9530   -0.6190    0.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0929   -0.3003    0.5220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2895    0.6018    1.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0773    1.8955    0.9477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0654    1.3323   -0.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2267   -2.1087    0.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9789   -1.5577    0.4237 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