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
0.6287 0.4691 -1.9997 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1394 0.4561 -0.8758 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5938 0.5952 -0.7482 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3226 0.7308 -1.8393 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2737 0.5890 0.5723 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3333 0.3102 0.2507 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0631 0.1669 0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6841 0.0332 1.5416 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0437 -0.1129 1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8445 -0.1307 0.6073 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3071 -0.0049 -0.6435 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9193 0.1415 -0.7616 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3987 0.8374 -1.8092 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8845 0.7435 -2.8350 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2956 1.0230 0.4936 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7122 1.1581 1.3452 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3917 -0.4494 0.9589 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8674 0.3103 1.1799 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0827 0.0429 2.4280 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5045 -0.2157 2.6869 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9062 -0.2449 0.7354 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9370 -0.0172 -1.5356 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5493 0.2356 -1.7537 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