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
   -1.3178   -0.8663   -0.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5801    0.3405    0.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2442    1.4598    0.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8362    0.2758    0.4277 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4524    1.3062    0.7792 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5405   -0.9385    0.2503 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8209   -0.9879    0.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0404   -0.8713    0.4425 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6445   -1.5744   -0.7602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6890   -1.4485    0.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1509   -0.6355   -0.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3113    1.5454    0.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7526    2.3947    0.6776 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