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
    3.9437    1.4608   -0.0395 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0678    0.3962   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5360   -0.8974   -0.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6825   -1.9771   -0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3422   -1.7797    0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8558   -0.4626    0.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6919    0.6064    0.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5505   -0.3516    0.2569 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2864    0.8370    0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7261    1.8983   -0.2862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7514    0.8097    0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4124    1.9286   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4134   -0.4569    0.5955 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3176    1.8205    0.8115 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6038   -1.0386   -0.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0543   -3.0026   -0.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6709   -2.6234    0.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3691    1.6269    0.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1092   -1.2127    0.5336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4889    1.9702    0.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9067    2.8339   -0.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4938   -0.3813    0.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0664   -1.2256   -0.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9304   -0.7789    1.5626 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