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
   -1.7986   -0.4846    0.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4741    0.0193   -0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3912    1.2576   -0.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7074   -0.8054   -0.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6624   -1.9745    0.2697 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9221   -0.2970   -0.6381 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7626    0.2633    0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7389    0.2877    0.9090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7718   -0.5913    1.4638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5904    0.2296    0.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0493   -1.4459   -0.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2560    1.8836   -0.5959 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5379    1.6575   -0.9720 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