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
-0.8886 1.2595 -0.4586 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6794 -0.1336 0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6911 -0.8629 0.4421 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6668 -0.6793 0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7985 -1.8528 0.5025 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7586 0.1116 -0.3584 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9623 -0.2077 -0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1221 -0.1866 0.3434 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3124 1.2793 -1.4764 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0604 1.7856 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5892 1.8266 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5105 -1.8614 0.7957 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6975 -0.4784 0.4236 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