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
   -0.8838   -1.6099   -0.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4560   -0.2001   -0.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8932    0.6918   -1.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4156    0.1726    0.8467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7998   -0.7065    1.6577 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8575    1.5098    1.0458 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9835    1.9343    0.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2379    2.0246    0.5890 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0109   -2.1862   -0.7432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2264   -2.0658    0.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7048   -1.7205   -1.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6058    1.7309   -1.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5352    0.4252   -1.9556 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