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
-0.8927 1.6941 -0.7309 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2453 0.6348 -0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6861 0.3838 0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5595 1.2951 -0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0816 -0.8661 0.7651 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3218 -0.3442 0.2408 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0848 -0.2144 0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8838 -1.3645 0.1386 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2335 -1.2854 -0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8609 -0.0690 -0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0973 1.0680 -0.3466 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7166 0.9732 -0.1889 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2643 2.2121 -0.7675 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6185 1.1638 -0.1116 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4690 -1.0035 1.6783 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1285 -0.8616 1.0779 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8695 -1.6976 0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6836 -1.2431 0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3797 -2.2787 0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8744 -2.1475 0.0477 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9331 -0.0074 -0.3788 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5738 2.0360 -0.5391 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1826 1.9223 -0.2581 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