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
   -3.5757    2.0416    1.1058 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0118    0.8196    0.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8187   -0.2615    0.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2473   -1.4557    0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8800   -1.5600   -0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0197   -0.4820    0.1843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6246    0.6876    0.5631 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3676   -0.6645    0.0175 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3737    0.3059    0.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0526    1.4646    0.5587 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.0782    0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2744   -1.0770   -0.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7910    1.1950    0.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9680    2.8176    1.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8975   -0.1875    0.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8510   -2.3430   -0.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4358   -2.4978   -0.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0745    1.5806    0.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6711   -1.6479   -0.2841 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3386   -1.2716   -0.4838 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6015   -1.8968   -0.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2712    2.1616    0.2725 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3607    0.9861    1.1756 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5020    1.2068   -0.5920 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