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
-1.1910 -0.8857 -0.7224 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5555 0.3207 -0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2866 1.3860 0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8629 0.3077 0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3774 1.3454 0.6249 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6054 -0.8740 -0.0939 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5944 -0.8662 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8177 -0.8445 -1.1707 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4743 -1.7507 -0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0281 -1.1856 -0.0616 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5265 -0.6406 -1.7546 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3396 1.3987 -0.1867 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8563 2.2889 0.4533 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