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
   -4.1730    1.7280   -0.4167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2379    0.7236   -0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7138   -0.5409    0.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7994   -1.5476    0.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4524   -1.2420    0.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9720    0.0122   -0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9047    1.0406   -0.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3902    0.4014   -0.0582 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4231   -0.3808    0.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081   -1.4750    1.0093 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8082    0.0696    0.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1819    1.2069   -0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8648   -0.8451    0.9739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9199    2.6806   -0.6172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7746   -0.7725    0.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1663   -2.5457    0.5081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7845   -2.0593    0.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5771    2.0624   -0.4570 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6187    1.3408   -0.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2636    1.4206   -0.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4856    1.8959   -0.6056 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7108   -0.8113    2.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6737   -1.8830    0.6354 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8471   -0.4793    0.6832 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