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
    4.3147   -0.8580   -1.2518 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2936   -0.3971   -0.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6566    0.2723    0.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6373    0.7156    1.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828    0.5057    1.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9205   -0.1539    0.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9701   -0.6027   -0.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4004   -0.4120   -0.3545 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4933    0.3384    0.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3308    1.2782    0.9373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8385    0.0529   -0.3532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0813   -0.8989   -1.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9430    0.9120    0.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6539   -1.8097   -1.0501 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6971    0.4395    0.9813 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8791    1.2479    2.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5330    0.8670    1.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7066   -1.1356   -1.6380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5465   -1.2133   -1.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3337   -1.5193   -1.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1047   -1.0641   -1.5119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8785    0.7661   -0.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9909    0.7074    1.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6037    1.9614    0.0831 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