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
   -3.8863    2.2391   -0.0613 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1064    1.0931   -0.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7473   -0.1208   -0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9635   -1.2390   -0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5557   -1.1831   -0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9151    0.0173    0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7348    1.1581    0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4842    0.1520    0.0978 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4252   -0.8534    0.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0567   -2.0435    0.4432 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8449   -0.5192    0.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7076   -1.4789    0.5488 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2645    0.8896    0.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4342    3.1557   -0.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8208   -0.2390   -0.1751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4412   -2.2160   -0.1666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0383   -2.1340   -0.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2692    2.1330    0.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8551    1.1504   -0.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3864   -2.4906    0.6673 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7514   -1.2396    0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1378    1.2565   -0.8572 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3367    0.9615    0.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6621    1.5510    0.8558 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