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
   -1.6633   -0.4436    0.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5615    0.1649   -0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6994    1.3554   -0.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6796   -0.5508   -0.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7921   -1.6967    0.3318 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7541    0.0256   -0.9182 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9506   -0.3268   -0.6157 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1139   -0.3727   -0.1549 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6003   -0.0859    1.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6616   -0.2334    0.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5518   -1.5643    0.7051 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0766    1.8431   -1.1026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6289    1.8853   -0.4047 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