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
    0.0246    1.1717    0.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6261   -0.0808    0.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9152   -0.0614   -0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1429   -1.2892   -0.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4427   -2.3576   -0.4607 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5298   -1.3977    0.1618 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4129   -0.6375   -0.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2864    0.1960   -0.5168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5523    1.5689    1.4298 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0533    1.0203    0.9183 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0129    1.9474   -0.2769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4606   -0.9331   -0.4731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4658    0.8532   -0.0106 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