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
-0.7454 1.1181 1.5791 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1861 0.4284 0.6317 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6556 0.3241 0.4884 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4185 0.9385 1.3322 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1816 -0.4814 -0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3190 -0.2153 -0.2524 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0883 -0.1575 -0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 0.2707 0.8803 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2132 0.2844 0.8053 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8495 -0.1322 -0.3169 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1176 -0.5701 -1.3849 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7632 -0.5811 -1.3055 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4867 0.8722 1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0121 1.5230 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2616 -0.7168 -0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0093 0.0789 -1.5622 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6691 -1.4814 -0.6443 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7907 -0.7850 -1.0342 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3294 0.5994 1.7995 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7634 0.6402 1.6764 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9282 -0.1138 -0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6272 -0.9049 -2.2862 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2205 -0.9383 -2.1822 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