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
   -0.6179   -1.0611   -0.6793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6055    0.2162    0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5903    1.1070   -0.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5194    0.4681    0.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5545    1.5392    1.5830 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5582   -0.4776    1.0487 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5425   -0.4096    0.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5253   -0.1636   -0.4963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1404   -1.8024   -0.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4231   -1.4155   -0.8447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1563   -0.9450   -1.6394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5842    2.0370    0.5085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4284    0.9072   -0.6879 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