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
1.0092 0.3620 -1.5815 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2773 0.0757 -0.3907 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6854 -0.0630 0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0511 -0.3591 1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7308 0.1560 -1.0143 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2072 -0.1058 0.5060 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1513 0.0034 0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7208 0.4335 -0.9625 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1055 0.4930 -1.1552 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9539 0.1104 -0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4279 -0.3279 1.0473 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0720 -0.3733 1.2011 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3862 -0.5318 2.0738 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1239 -0.4405 1.4853 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9228 1.2277 -1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3737 -0.2850 -1.9835 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6071 -0.4320 -0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4710 -0.3483 1.5141 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1027 0.7431 -1.7652 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4574 0.8444 -2.1097 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0173 0.1636 -0.3134 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1334 -0.6186 1.8137 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7036 -0.7275 2.1620 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