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
0.9862 1.5569 -0.5093 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2214 0.3586 -0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6043 -0.0026 0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9555 -1.2103 0.4104 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6866 1.0286 -0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1996 -0.5846 -0.0087 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1714 -0.2970 -0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6580 0.9708 -0.1415 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0108 1.2840 -0.3542 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8424 0.2268 -0.6315 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3749 -1.0746 -0.6978 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0496 -1.3307 -0.4839 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2553 -2.0290 0.5654 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0384 -1.4042 0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2089 0.7304 -1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2139 2.0125 -0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3848 1.0337 0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3978 -1.5886 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0556 1.8575 0.0916 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3835 2.2931 -0.3047 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8980 0.4222 -0.8032 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0650 -1.8978 -0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6434 -2.3557 -0.5298 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