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
   -3.4032   -2.9721   -0.1959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8065   -1.7225   -0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6202   -0.6066   -0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0786    0.6518    0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6837    0.8233    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8540   -0.2492   -0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4711   -1.5051   -0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5387   -0.1326   -0.1587 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2445    1.0300    0.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6757    2.0876    0.5676 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7206    1.0520    0.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3440    2.1517    0.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4228   -0.1600   -0.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5758   -3.4873    0.6716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6987   -0.7589    0.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7491    1.4872    0.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3852    1.8554    0.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7983   -2.3481   -0.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1282   -0.9528   -0.4629 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4165    2.1896    0.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8025    3.0170    0.7415 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2538   -0.2945   -1.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0621   -1.0785    0.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5150   -0.0776   -0.1776 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