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
   -1.1938    1.2890   -0.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5363    0.0933   -0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0581   -0.5707    0.9681 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7127   -0.3358   -0.6383 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2002    0.2948   -1.6025 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3643   -1.4774   -0.0968 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4764   -1.3591    0.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -1.0463    1.1140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6614    2.1779   -0.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0347    1.2768   -1.7365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2567    1.3761   -0.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5480   -1.4256    1.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9864   -0.2930    1.4405 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