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
    3.6517    1.8026    0.7603 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9685    0.6705    0.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6131   -0.4749   -0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9005   -1.5777   -0.4636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5333   -1.5300   -0.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8702   -0.3700   -0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5702    0.7340    0.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5403   -0.4466   -0.0375 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3578    0.7091   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9317    1.8868    0.0049 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7988    0.5452   -0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5975    1.6056    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3545   -0.8246   -0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6490    1.8790    0.7891 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6851   -0.5307   -0.0826 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3846   -2.4816   -0.7898 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552   -2.4099   -0.7686 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1015    1.6427    0.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0021   -1.4161   -0.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2052    2.6063    0.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6680    1.5033   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0450   -1.3177    0.9123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9235   -1.3642   -0.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4584   -0.8412   -0.0469 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