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
1.2175 1.1632 -0.8416 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3289 0.2287 0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6558 -0.1199 0.5275 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8234 -1.0506 1.4067 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8407 0.6233 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1433 -0.4038 0.4621 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1765 -0.1186 0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2305 -0.7060 0.7393 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5411 -0.4986 0.3803 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9032 0.2863 -0.6898 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8824 0.8631 -1.3961 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5430 0.6566 -1.0369 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0306 -1.6164 1.8247 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8201 -1.2862 1.7534 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5671 1.2463 -0.8871 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1628 1.3027 0.8169 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6038 -0.0852 -0.3268 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2797 -1.1808 1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9958 -1.3426 1.6043 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3242 -0.9743 0.9662 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9461 0.4034 -0.9112 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1480 1.4821 -2.2389 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7827 1.1274 -1.6320 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