Monomers
N-Phenylmethacrylamide
Identifiers
IUPAC name
2-methyl-N-phenylprop-2-enamide
InchI
InChI=1S/C10H11NO/c1-8(2)10(12)11-9-6-4-3-5-7-9/h3-7H,1H2,2H3,(H,11,12)
InchI Key
IJSVVICYGLOZHA-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)Nc1ccccc1
Canonical SMILES
CC(=C)C(=O)NC1=CC=CC=C1
Isomeric SMILES
CC(=C)C(=O)NC1=CC=CC=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H11NO
Heavy Atom Count
12
Molecular Weight
161.204
Exact Molecular Weight
161.0841
Valence Electrons
62
Radical Electrons
0
tPSA
29.1
MolLogP
2.2012
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
23 23 0 0 0 0 0 0 0 0999 V2000
1.2386 1.1069 -0.8987 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2948 0.1364 -0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6323 -0.2658 0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8143 -1.2410 1.1864 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8123 0.4267 -0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1252 -0.4578 0.3945 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1806 -0.0749 0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2366 -0.9611 0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5278 -0.6447 -0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8815 0.5445 -0.6377 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8697 1.4280 -0.9084 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5475 1.1049 -0.5781 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8134 -1.5683 1.5118 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0053 -1.7899 1.6215 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6841 -0.2764 -0.3048 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6334 0.8207 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1032 1.3259 0.3988 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2025 -1.2657 1.0884 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9921 -1.9225 0.7611 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3425 -1.3585 0.1804 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9167 0.7210 -0.8608 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0946 2.3708 -1.3754 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7698 1.8408 -0.7976 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 3
3 5 1 0
2 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 7 1 0
4 13 1 0
4 14 1 0
5 15 1 0
5 16 1 0
5 17 1 0
6 18 1 0
8 19 1 0
9 20 1 0
10 21 1 0
11 22 1 0
12 23 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers