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
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
-0.8611 -0.5129 1.1027 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6032 0.1590 -0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5045 0.9603 -0.7114 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6343 -0.0861 -0.9127 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8473 0.4735 -2.0071 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6016 -0.9461 -0.3780 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7335 -0.6141 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7039 -0.0030 0.5130 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0310 -0.4559 1.7615 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6736 0.0124 1.6541 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1786 -1.5580 0.9689 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4185 1.1371 -0.1879 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3120 1.4340 -1.6485 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