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
   -3.7194    0.9530    1.6426 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0070    0.3159    0.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6518   -0.3282   -0.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8998   -0.9352   -1.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5372   -0.9194   -1.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8792   -0.2574   -0.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6313    0.3378    0.6344 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5534   -0.2876   -0.3629 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3638    0.5310    0.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9255    1.3714    1.2497 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8391    0.4172    0.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5776    1.1843    1.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4386   -0.5707   -0.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7255    0.9271    1.6128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7404   -0.3392   -0.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4457   -1.4422   -2.1919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9513   -1.3989   -2.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1428    0.8473    1.4643 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0433   -0.9583   -1.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1329    1.8807    1.7485 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6447    1.1194    1.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9432   -1.5468   -0.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5098   -0.6900   -0.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3594   -0.2111   -1.6736 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