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
-0.6406 1.8247 0.7163 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1316 0.7761 0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6041 0.7159 0.1846 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3570 1.7132 0.5883 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2473 -0.5005 -0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3560 -0.3012 -0.1843 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0635 -0.3379 -0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8562 0.5570 0.4908 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2585 0.4960 0.4875 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8772 -0.5131 -0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0732 -1.4452 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7172 -1.3681 -0.8485 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4237 1.6272 0.5203 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8702 2.5926 0.9781 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3317 -0.4496 -0.1493 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0466 -0.5156 -1.4595 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7975 -1.4178 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9010 -1.1306 -0.5592 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4175 1.3701 1.0552 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8268 1.2349 1.0157 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9533 -0.6194 -0.2391 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5723 -2.2357 -1.3982 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0914 -2.0728 -1.3546 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