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
0.9725 1.1227 -1.4339 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2404 0.3926 -0.4591 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6698 0.2028 -0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5995 0.7738 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1055 -0.6450 0.9662 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2912 -0.2463 0.3613 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0855 -0.1335 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7069 0.3443 -0.9627 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1023 0.4485 -1.0825 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8912 0.0552 -0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3083 -0.4297 1.1199 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9362 -0.5210 1.2109 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6263 0.6270 -0.6752 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3419 1.4032 -1.7382 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8721 -0.1051 1.9179 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1820 -0.8436 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5159 -1.5828 0.9573 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6283 -0.8521 1.1738 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1044 0.6483 -1.8088 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5293 0.8352 -2.0007 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9751 0.1395 -0.1284 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9488 -0.7314 1.9329 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4572 -0.9028 2.1152 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