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
   -0.3440    1.1880   -0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5911   -0.2555    0.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7442   -0.7739   -0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4434   -1.1048    0.6193 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2966   -2.3413    0.7957 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6982   -0.5683    1.0194 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4344    0.0991    0.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1226    0.8818   -0.4557 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1682    1.6477    0.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3081    1.7613   -0.2267 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2529    1.4087   -1.0592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4842   -0.1140   -0.7406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9447   -1.8287   -0.1986 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