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
-0.7535 -1.8755 0.5952 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1889 -0.7366 0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6508 -0.4894 0.3595 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4532 -1.4609 0.6953 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1707 0.8513 0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2955 0.2881 -0.0461 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1024 0.2134 -0.1318 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8100 -0.8447 0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2062 -0.8400 0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8744 0.1915 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1228 1.2410 -0.8596 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7610 1.2701 -0.7377 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5103 -1.2994 0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0626 -2.4269 0.9342 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2603 0.8393 -0.1321 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7120 1.2788 -0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9436 1.5687 0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7720 1.2269 -0.2714 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3699 -1.6886 0.8229 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7300 -1.7041 0.5839 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9687 0.1818 -0.5041 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6375 2.0828 -1.3412 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1905 2.1324 -1.1213 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