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
-1.1579 -1.6843 0.4940 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3386 -0.5010 0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7244 -0.0615 -0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7007 -0.9214 0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9817 1.3289 -0.4108 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2492 0.3733 -0.0375 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1119 0.0371 0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6016 -1.1554 0.5163 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9749 -1.4166 0.6366 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8772 -0.4348 0.3356 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4208 0.8030 -0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0718 1.0189 -0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5181 -1.9474 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7380 -0.6398 0.0622 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7576 2.0394 0.4352 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3417 1.6591 -1.2456 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0735 1.4649 -0.6523 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5363 1.3558 -0.3207 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9522 -1.9574 0.7669 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3410 -2.3698 0.9597 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9568 -0.5555 0.4022 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1149 1.5847 -0.3237 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6948 1.9798 -0.5143 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