Monomers
3'-Hydroxy-2-methylacrylanilide
Identifiers
IUPAC name
N-(3-hydroxyphenyl)-2-methylprop-2-enamide
InchI
InChI=1S/C10H11NO2/c1-7(2)10(13)11-8-4-3-5-9(12)6-8/h3-6,12H,1H2,2H3,(H,11,13)
InchI Key
VAVZHSBOROHMQD-UHFFFAOYSA-N
SMILES
Oc1cccc(c1)NC(=O)C(=C)C
Canonical SMILES
CC(=C)C(=O)NC1=CC(=CC=C1)O
Isomeric SMILES
CC(=C)C(=O)NC1=CC(=CC=C1)O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H11NO2
Heavy Atom Count
13
Molecular Weight
177.203
Exact Molecular Weight
177.079
Valence Electrons
68
Radical Electrons
0
tPSA
49.33
MolLogP
1.9068
H Bond Acceptors
2
H Bond Donors
2
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
24 24 0 0 0 0 0 0 0 0999 V2000
3.9257 -1.2936 -1.0119 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1080 -0.4247 -0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6725 0.5052 0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8891 1.3649 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5164 1.2889 1.1014 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8923 0.3485 0.2794 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7217 -0.4849 -0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5071 0.3245 0.2101 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3374 -0.5235 -0.5407 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8138 -1.3956 -1.2646 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7948 -0.4393 -0.5201 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5069 -1.2675 -1.2493 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5218 0.5618 0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2395 -2.1867 -0.6738 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7593 0.5635 0.5974 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3421 2.1020 1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8736 1.9703 1.6587 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3492 -1.2332 -1.0506 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0675 1.0354 0.7959 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0028 -1.9985 -1.8533 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5745 -1.2548 -1.2759 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6289 0.1997 1.3657 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9841 1.5474 0.3361 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5498 0.6903 -0.0893 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 2 0
6 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 2 3
11 13 1 0
7 2 1 0
1 14 1 0
3 15 1 0
4 16 1 0
5 17 1 0
7 18 1 0
8 19 1 0
12 20 1 0
12 21 1 0
13 22 1 0
13 23 1 0
13 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers