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
-0.3082 1.2078 0.4678 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6132 -0.1560 0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7108 -0.3896 -0.6462 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3161 -1.2185 0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0738 -2.4113 -0.0912 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5210 -1.0232 1.0028 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4823 -0.3587 0.4899 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3327 0.5526 0.3304 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7289 1.3407 0.8283 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4061 1.8788 -0.4275 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0616 1.5766 1.1994 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4210 0.3870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9339 -1.3863 -0.9814 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