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
   -1.1395   -1.1687    0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6470    0.2236   -0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5024    1.2073   -0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7776    0.4923    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1893    1.6878   -0.0534 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7244   -0.5948    0.0653 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9516   -0.3375   -0.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1888   -0.1816   -0.1337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4614   -1.8592   -0.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1513   -1.4432    1.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2009   -1.2575   -0.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5560    1.0013   -0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1730    2.2302   -0.1073 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