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
   -1.2435   -1.0382    0.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6231    0.2834    0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3561    1.3143   -0.2847 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8059    0.4467    0.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3541    1.5837    0.0741 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6714   -0.6057    0.6552 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8091   -0.7465    0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0296   -0.5856   -0.0933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6332   -1.6229    1.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1751   -1.5939   -0.6549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2781   -0.9860    0.6554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9291    2.2977   -0.4565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4318    1.2529   -0.4381 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