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
   -1.8233   -0.5870    0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5785    0.2136   -0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5961    1.5216    0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6790   -0.4874   -0.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7547   -1.7331   -0.3473 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8910    0.2521   -0.2981 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9769   -0.2922    0.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1805   -0.5906   -0.1082 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7185    0.0346    0.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7119   -1.3324    0.8787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8722   -1.1741   -0.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3212    2.0861    0.0577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5028    2.0889    0.2736 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