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
   -0.7879   -1.0665   -0.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4970    0.3493    0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4840    1.2252    0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8485    0.7282    0.6006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1363    1.9036    0.9369 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8807   -0.2235    0.6043 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4847   -0.6510   -0.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7906   -1.2053   -1.4748 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1471   -1.6598   -0.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1960   -1.0988   -1.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5605   -1.4999    0.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2704    2.2351    0.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4920    0.9635   -0.0737 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