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
   -0.8880   -1.1397   -0.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5884    0.2998    0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4901    1.1997   -0.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7286    0.6903    0.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9990    1.9111    0.6542 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6752   -0.3249    0.8062 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5963   -0.6656   -0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6306   -0.5743   -0.6959 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0317   -1.7577   -0.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5260   -1.3156   -1.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4206   -1.4796    0.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2903    2.2693   -0.1171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4580    0.8871   -0.5664 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