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
   -3.8721    1.6114   -0.5237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0571    0.5025   -0.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6452   -0.6888    0.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8319   -1.7627    0.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4757   -1.6536    0.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8822   -0.4299   -0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6679    0.6556   -0.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -0.3525   -0.0275 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2871    0.6841   -0.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7781    1.6899   -1.1181 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7631    0.6111   -0.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5121    1.5696   -1.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4224   -0.5496    0.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1656    2.2530    0.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7417   -0.7842    0.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2939   -2.7194    0.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8319   -2.5204    0.5606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3036    1.6401   -0.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0634   -1.1625    0.4147 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5912    1.5479   -0.9718 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0584    2.4406   -1.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -0.4919    1.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4880   -0.5697   -0.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9721   -1.5206   -0.2081 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