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
-0.9000 -1.3484 -0.8184 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1907 -0.2896 -0.1699 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5845 0.1067 -0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0267 1.1674 0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5810 -0.7656 -0.8293 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2250 0.4939 0.4822 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1527 0.1877 0.4944 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6150 -1.0627 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9947 -1.3412 0.2186 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8394 -0.2976 0.4959 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3797 0.9716 0.7705 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0377 1.2406 0.7759 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1165 1.3544 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4233 1.8688 1.0588 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4079 -1.8362 -0.5485 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4106 -0.5877 -1.9104 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6130 -0.4878 -0.5331 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5443 1.3677 0.9996 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9850 -1.9350 0.0137 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3655 -2.3279 0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9197 -0.4987 0.4948 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0964 1.7792 0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6375 2.2404 0.9906 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