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
   -0.3082    1.2078    0.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6132   -0.1560    0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7108   -0.3896   -0.6462 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3161   -1.2185    0.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0738   -2.4113   -0.0912 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5210   -1.0232    1.0028 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4823   -0.3587    0.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3327    0.5526    0.3304 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7289    1.3407    0.8283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4061    1.8788   -0.4275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0616    1.5766    1.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4210    0.3870   -0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9339   -1.3863   -0.9814 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