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
   -3.9874   -1.9861    0.0025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1547   -0.8526   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6434    0.4206   -0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8194    1.5202   -0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4408    1.2635   -0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9078    0.0140   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8146   -1.0627    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4764   -0.2715    0.0165 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4741    0.6818    0.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2242    1.8828    0.5783 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8839    0.2826    0.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8593    1.1267    0.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2116   -1.1181   -0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2437   -2.3374   -0.8993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7211    0.5405   -0.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2041    2.5337   -0.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8325    2.1517   -0.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3942   -2.0584    0.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7761   -1.2755   -0.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8983    0.8503    0.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5966    2.1465    0.7807 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9077   -1.2772   -1.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5817   -1.8242    0.5682 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2739   -1.3511    0.0284 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