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
   -1.0470    0.7263    0.7197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4792   -0.4395    0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2995   -1.2844   -0.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9668   -0.6668   -0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4515   -1.6544   -0.6842 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8984    0.2266    0.5270 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    1.1697   -0.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0337    2.0983   -0.6705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4044    1.4430   -0.0611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2426    1.1769    1.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9451    0.4576    1.3086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9157   -2.1379   -1.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3591   -1.1154   -0.5032 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