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
-1.4592 1.1171 0.3518 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5942 -0.0277 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0927 -1.2350 -0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8084 0.1882 -0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2918 1.3445 -0.1892 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7092 -0.8726 -0.5633 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9028 -0.8059 -0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1162 -0.5260 0.0824 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3493 1.9561 -0.3904 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5242 0.8372 0.4637 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1562 1.5233 1.3588 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5132 -2.1175 -0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1395 -1.3817 0.1688 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