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
   -1.2500   -0.7676   -0.6254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5974    0.2779    0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2499    1.3349    0.6027 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8141    0.1544    0.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4183    1.0258    1.1721 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5718   -0.9578    0.0567 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8193   -0.8472   -0.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8753   -0.6043   -0.7586 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9929   -1.7996   -0.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9572   -0.7003   -1.7020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3468   -0.6666   -0.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8110    2.1211    1.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2935    1.4294    0.3646 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