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
0.7030 -1.7226 0.5421 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1958 -0.5859 0.2064 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6431 -0.4411 0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1919 0.6966 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5223 -1.5885 0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3019 0.4589 -0.0941 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1209 0.3982 -0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8683 -0.7460 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2724 -0.7078 0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9488 0.4879 -0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2172 1.6581 -0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8617 1.5908 -0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2970 0.8098 -0.2207 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6794 1.6068 -0.4444 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4339 -1.4952 -0.1392 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0302 -2.5638 0.2653 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8409 -1.5152 1.5439 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7362 1.4019 -0.3718 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3927 -1.7052 0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8165 -1.6463 0.0958 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0351 0.5178 0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7579 2.5932 -0.1207 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2839 2.4974 -0.1755 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