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
    4.1795    1.7815   -0.4924 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2612    0.8254   -0.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7350   -0.2916    0.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8395   -1.2268    0.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4833   -1.0381    0.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9551    0.0608    0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    0.9879   -0.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3764    0.3391   -0.1503 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5312   -0.4130    0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3351   -1.5042    0.7254 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8918    0.0194   -0.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2032    1.1307   -0.8189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958   -0.9299    0.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6141    1.7647   -1.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7896   -0.4508    0.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1638   -2.1241    1.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8420   -1.7997    1.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6110    1.8896   -0.7808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6028    1.2577   -0.6503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2526    1.3331   -1.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4368    1.8241   -1.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6100   -1.9628    0.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8266   -0.8525   -0.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3386   -0.6204    1.1985 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