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
-0.8558 -0.1392 -1.9002 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2386 0.1238 -0.7469 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6759 0.3456 -0.4975 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5163 0.2618 -1.4893 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1818 0.6607 0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3028 0.2070 0.3032 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0807 0.0158 0.1818 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8424 0.1428 1.3564 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2033 -0.0161 1.3927 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8816 -0.3148 0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1622 -0.4459 -0.9311 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7815 -0.2785 -0.9349 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5621 0.4217 -1.3155 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1472 0.0325 -2.4716 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5182 1.4194 1.3138 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1905 1.0835 0.7954 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1510 -0.2796 1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7307 0.4381 1.2574 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3640 0.3786 2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7894 0.0834 2.3058 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9631 -0.4393 0.2762 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6961 -0.6833 -1.8526 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3066 -0.3974 -1.8794 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