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
0.6925 -2.0057 -0.0079 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1886 -0.8533 0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6437 -0.6881 0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4344 -1.7330 0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2204 0.6700 0.1587 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3386 0.2682 -0.1161 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0595 0.2736 -0.2557 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7126 1.5038 -0.3603 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0781 1.6012 -0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8906 0.4919 -0.5452 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2700 -0.7314 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8794 -0.8220 -0.3024 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5028 -1.6125 0.3596 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9960 -2.7280 0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6443 1.2843 0.8894 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2936 0.6759 0.3432 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0246 1.1064 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8594 1.2024 -0.0941 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0833 2.4088 -0.3266 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5546 2.5615 -0.5781 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9682 0.5788 -0.6555 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8758 -1.6441 -0.4752 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4669 -1.8086 -0.2296 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