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
    3.7272   -1.3948    1.1060 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0037   -0.3322    0.5913 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    0.8025    0.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9140    1.8573   -0.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    1.7633   -0.4264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8864    0.6059   -0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6101   -0.4376    0.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5015    0.6028   -0.1587 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2881   -0.5668   -0.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7906   -1.7294   -0.0067 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7351   -0.4566   -0.2783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4024    0.6624   -0.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5205   -1.7386   -0.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0518   -2.0823    0.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7361    0.8403    0.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4080    2.7658   -0.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0186    2.6225   -0.8371 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1609   -1.3583    0.8212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9841    1.5508   -0.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9389    1.6343   -0.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4860    0.6357   -0.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980   -2.4993   -0.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5293   -1.5767   -0.6742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5549   -2.1709    0.7651 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