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
Resources
cid=

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
    3.8792   -2.1042    0.7061 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0994   -1.0390    0.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7523    0.0588   -0.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9862    1.1085   -0.7313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5951    1.0567   -0.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9432   -0.0239   -0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7482   -1.0822    0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4623   -0.1528    0.0110 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4439    0.7184   -0.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1170    1.7385   -1.1268 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8718    0.4915   -0.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7572    1.3357   -0.7997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3876   -0.6909    0.4298 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1320   -2.8694    0.0828 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8434    0.0979   -0.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4856    1.9796   -1.1579 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0406    1.9191   -1.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2754   -1.9585    0.7682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8282   -0.9970    0.5386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8231    1.2044   -0.6868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4089    2.2025   -1.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7578   -1.5805    0.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4355   -0.9327    0.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4872   -0.4805    1.5159 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