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
    4.3032    1.2780    1.0551 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2986    0.5189    0.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6471   -0.6435   -0.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7376   -1.4630   -0.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3841   -1.0706   -0.7152 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0014    0.0765   -0.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9846    0.8833    0.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3466    0.4873    0.0139 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4474   -0.3644   -0.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3217   -1.5938   -0.4396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8006    0.1446   -0.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0330    1.3912    0.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9603   -0.7847   -0.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1442    2.1422    1.5469 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6921   -0.9474   -0.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9946   -2.3812   -1.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6716   -1.7301   -1.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6955    1.7954    1.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5007    1.5183    0.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3273    2.1713    0.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0796    1.7247    0.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7054   -0.6968    0.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4198   -0.6190   -1.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6122   -1.8371   -0.2723 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