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
   -1.1771   -1.1158   -0.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6355    0.2484   -0.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4472    1.2664   -0.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7981    0.4554   -0.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2604    1.6122   -0.0174 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7085   -0.6344   -0.1987 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8966   -0.5037    0.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1227   -0.2410    0.1235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5535   -1.7184   -1.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -1.1168   -0.8717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2043   -1.6349    0.5652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5027    1.1242   -0.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0660    2.2584   -0.1074 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