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
    3.5452    1.9103    1.2863 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9870    0.7297    0.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7728   -0.3895    0.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1764   -1.5310    0.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8271   -1.5611    0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9977   -0.4441    0.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6102    0.6990    0.5775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3726   -0.5861   -0.1671 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3897    0.3735    0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0902    1.4963    0.4872 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7761    0.1310   -0.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1381   -1.0216   -0.8629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8026    1.2192   -0.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9897    2.7510    1.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8370   -0.3942    0.9148 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7800   -2.4170    0.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -2.4906   -0.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0599    1.6127    0.7132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6661   -1.5321   -0.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5065   -1.8566   -1.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2030   -1.1772   -1.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5007    0.8652    0.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2950    2.1416    0.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2714    1.4717   -1.1065 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