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
   -0.8886    1.2595   -0.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6794   -0.1336    0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6911   -0.8629    0.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6668   -0.6793    0.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7985   -1.8528    0.5025 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7586    0.1116   -0.3584 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9623   -0.2077   -0.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1221   -0.1866    0.3434 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3124    1.2793   -1.4764 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0604    1.7856   -0.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5892    1.8266    0.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5105   -1.8614    0.7957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6975   -0.4784    0.4236 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