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
   -3.9633   -2.0226    0.1463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1431   -0.9083   -0.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6696    0.3118   -0.4463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8578    1.4022   -0.6631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4679    1.2441   -0.4973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9008    0.0687   -0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7820   -1.0023    0.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4673   -0.1940    0.0701 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5008    0.7721    0.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2294    1.9954   -0.0742 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8836    0.3375    0.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8262    1.2521    0.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1959   -1.0827    0.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2113   -2.6742   -0.5815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7498    0.3596   -0.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2680    2.3445   -0.9495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8468    2.1013   -0.6760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3890   -1.9798    0.3649 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7927   -1.2031    0.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5919    2.2937    0.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8690    0.9947    0.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2873   -1.2166    0.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9021   -1.4637    1.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7033   -1.7304   -0.2568 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