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
    4.3035    1.5851    0.6590 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3183    0.7039    0.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7411   -0.4467   -0.4018 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7771   -1.3301   -0.8252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4306   -1.0637   -0.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9834    0.0599    0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9826    0.9492    0.4399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    0.4067    0.2721 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5113   -0.3216   -0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3905   -1.4137   -0.6510 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8894    0.0909    0.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1730    1.2048    0.8481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0442   -0.7853   -0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7490    1.5596    1.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7781   -0.6856   -0.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0666   -2.2577   -1.3382 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7308   -1.7880   -0.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7047    1.8611    0.9439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5484    1.3275    0.7762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4016    1.8696    1.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1928    1.4711    1.0446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7591   -0.2482   -0.8077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5856   -1.0078    0.7924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7072   -1.7411   -0.5895 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