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
-0.9477 -1.8674 0.2391 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2557 -0.6783 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6932 -0.3037 0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6038 -1.2481 0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1046 1.1030 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2774 0.3085 -0.0048 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1298 0.1283 -0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9436 1.1995 -0.4143 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3120 1.1282 -0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9164 -0.0678 -0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1190 -1.1177 0.2985 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7326 -1.0475 0.3383 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2873 -2.2608 0.3499 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6559 -1.0132 0.2626 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1589 1.1291 -0.3679 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5164 1.6719 -0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1252 1.6437 0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6165 1.3151 -0.0993 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4702 2.1322 -0.7017 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8852 1.9890 -0.7634 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0015 -0.1350 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5641 -2.0741 0.5944 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1681 -1.9348 0.6661 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