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
   -1.7578    0.6511   -0.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4315   -0.0360   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1098   -0.5624   -1.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2476   -0.1316    1.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2673    0.3703    2.2883 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4935   -0.7876    1.3494 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5396   -0.2969    0.8179 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6919    0.0810    0.6394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3725   -0.0517   -0.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2822    0.7532    0.8005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6372    1.5676   -0.7323 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0576   -1.0593   -1.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3916   -0.4977   -2.0378 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