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
   -1.0085   -1.1479   -0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5585    0.2500    0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2343    1.0116    1.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6339    0.8096   -0.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0173    1.9789   -0.1119 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4151    0.0264   -1.2843 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4901   -0.4719   -0.7735 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250   -0.6333   -0.7225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6852   -1.4077   -1.0742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1185   -1.1386    0.0559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6254   -1.8699    0.7176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9169    2.0076    1.3209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1340    0.5852    1.5731 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