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
   -1.4726   -0.2474   -1.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4282   -0.0279   -0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5123    1.0756    0.7023 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6173   -1.0053    0.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6455   -2.0172   -0.5817 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6021   -0.7986    1.1201 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6273   -0.0923    0.8566 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2940    0.9737    0.8567 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1232   -0.9958   -1.8137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3891   -0.6401   -0.5657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7427    0.6946   -1.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3177    1.7664    0.5264 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1994    1.3143    1.4794 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