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
   -1.3313    0.8155    0.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5731   -0.2983   -0.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2128   -1.3587   -0.7201 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8571   -0.1875   -0.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5024   -1.1464   -0.9239 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5835    0.9539    0.0188 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7696    0.8541    0.3975 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0061    0.6698    0.4955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2339    0.4598    0.8483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7071    1.4270   -0.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7099    1.4914    0.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6650   -2.1913   -1.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2856   -1.4895   -0.6608 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