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
   -0.4039   -0.8064   -0.9208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6329    0.1058    0.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7595    0.0553    0.8753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3840    1.0591    0.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2580    1.8652    1.5609 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6198    1.1222   -0.1104 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5499    0.3111    0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -0.5138    0.1449 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1235   -1.6538   -0.9388 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6050   -1.2883   -0.8136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5007   -0.2998   -1.9131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5077   -0.6560    0.5776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9510    0.6994    1.6963 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