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
    3.3541    2.2305   -0.9977 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8754    1.0379   -0.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7111    0.1026    0.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1896   -1.1002    0.5436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8426   -1.3418    0.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9615   -0.3982   -0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4963    0.7702   -0.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4035   -0.7215   -0.1407 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4243    0.2144   -0.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1629    1.4543   -0.3746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8213   -0.1274   -0.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -1.3590   -0.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8382    0.9380   -0.5137 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3093    2.4988   -0.9957 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7682    0.2776    0.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8555   -1.8545    0.9865 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3999   -2.2708    0.8552 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8845    1.5200   -1.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6501   -1.7468   -0.0692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5318   -2.1618   -0.1653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3082   -1.6268   -0.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3733    1.9621   -0.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6245    0.8686    0.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2767    0.8338   -1.5078 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