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
   -1.5157    0.5185   -0.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4550   -0.4191    0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8334   -1.6666    0.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9304   -0.0083    0.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7399   -0.8875    0.5957 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3569    1.3020   -0.0344 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4674    1.6541   -0.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    1.6790   -0.8315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4846    0.2231    0.0315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6385    0.4725   -1.5286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3027    1.5629   -0.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1030   -2.4097    0.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8368   -2.0209    0.1553 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