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
    3.5349    0.8939    2.0067 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9864    0.4296    0.8279 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7884    0.0412   -0.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1998   -0.4217   -1.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8360   -0.4855   -1.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0105   -0.0867   -0.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5999    0.3654    0.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3768   -0.1767   -0.6518 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3729   -0.1798    0.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9957   -0.1007    1.5378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7874   -0.2666    0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2384   -0.3488   -1.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7501   -0.2602    1.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9897    1.1916    2.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8719    0.0735   -0.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8062   -0.7341   -2.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4133   -0.8531   -2.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9905    0.7020    1.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7150   -0.2461   -1.6671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3312   -0.4125   -1.3668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5685   -0.3557   -2.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2954    0.3174    1.9875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9063   -1.3053    1.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6897    0.1660    0.7932 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