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
-0.9944 -1.0782 1.8457 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3023 -0.3584 0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7287 -0.0914 0.5654 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6790 -0.5977 1.3108 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0730 0.7608 -0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2863 0.1968 0.0504 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1085 0.0277 0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9507 0.5901 -0.7432 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3130 0.5100 -0.7064 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8936 -0.1594 0.3331 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1370 -0.7413 1.3221 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7367 -0.6299 1.2375 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4702 -1.2240 2.1666 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7133 -0.4015 1.0892 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5069 0.4386 -1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1418 0.6749 -0.8767 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8134 1.8045 -0.3571 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6453 0.7953 -0.7591 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5074 1.1196 -1.5668 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9637 0.9441 -1.4504 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9893 -0.2327 0.3769 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5906 -1.2677 2.1397 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1641 -1.0800 2.0072 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