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
-1.1446 -1.1976 -1.0011 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3016 -0.2066 -0.1967 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6708 0.1734 0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8966 1.1618 0.9641 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7970 -0.6156 -0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1353 0.4153 0.2621 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2001 0.0949 -0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5780 -1.0469 -0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9449 -1.2543 -0.9303 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8889 -0.3396 -0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5297 0.8234 0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1914 1.0133 0.3222 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1209 1.7369 1.3994 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9158 1.4235 1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6961 -0.5531 0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4862 -1.6607 -0.6311 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1036 -0.1635 -1.4193 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3220 1.2418 0.9336 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9049 -1.8294 -0.9832 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2209 -2.1810 -1.4386 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9446 -0.5345 -0.7875 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2878 1.5589 0.3649 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8994 1.9396 0.8320 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