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
0.8660 1.7244 0.5548 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2503 0.6405 0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6906 0.4088 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5308 1.3305 0.4211 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2302 -0.8574 -0.5489 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2990 -0.2963 -0.3451 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1145 -0.1816 -0.3157 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8134 0.9021 0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2112 0.9638 0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9334 -0.1053 -0.3242 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2451 -1.2044 -0.7986 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8927 -1.2421 -0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6136 1.1760 0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1181 2.2480 0.8197 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2720 -0.7354 -0.9251 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1810 -1.6951 0.1794 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6420 -1.1838 -1.4524 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7330 -1.1945 -0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3197 1.7662 0.5402 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7359 1.8281 0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0122 -0.0801 -0.3293 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7796 -2.0819 -1.1936 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3688 -2.1305 -1.1790 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