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
-1.1688 -1.4574 0.4242 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3219 -0.2998 -0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6713 0.1698 -0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9407 1.3690 -0.7001 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7920 -0.7523 0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1628 0.4536 -0.2557 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1688 0.1196 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1382 1.0856 -0.4092 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4889 0.8687 -0.2788 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9399 -0.3532 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0347 -1.3331 0.5308 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6759 -1.0509 0.3755 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2263 2.1269 -0.9583 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9848 1.6867 -0.8573 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9007 -1.4905 -0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5188 -1.3575 0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7327 -0.1999 0.2388 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3948 1.4304 -0.6305 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8274 2.0704 -0.7899 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2248 1.6149 -0.5319 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9978 -0.5596 0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3277 -2.3142 0.9095 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9914 -1.8274 0.6420 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