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
    3.7526   -0.3550   -1.9360 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0461   -0.0866   -0.7713 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7194    0.2485    0.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9887    0.5069    1.5055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6190    0.4378    1.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9030    0.0970    0.3551 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6575   -0.1529   -0.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5045    0.0414    0.4221 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4114   -0.2787   -0.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9487   -0.5524   -1.7471 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8532   -0.2983   -0.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6428   -0.5998   -1.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4055    0.0210    0.9183 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9331    0.4392   -2.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8044    0.3049    0.3739 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5510    0.7696    2.3965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0901    0.6543    2.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2030   -0.4180   -1.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0013    0.2609    1.3547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2423   -0.8350   -2.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7234   -0.6340   -1.3115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4688   -0.1796    1.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8493   -0.5129    1.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2167    1.1217    1.0853 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