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
    3.7062    1.7584   -0.9825 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9960    0.6850   -0.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6423   -0.4536   -0.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9450   -1.5240    0.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5807   -1.5041    0.5994 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9051   -0.3533    0.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6037    0.7140   -0.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -0.3753    0.3236 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3649    0.5182   -0.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9878    1.4113   -1.1150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7922    0.4001   -0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6437    1.2063   -0.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3074   -0.6398    0.8321 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0201    2.4711   -0.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7186   -0.4857   -0.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4780   -2.4098    0.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0559   -2.3671    1.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1246    1.6240   -0.6795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9003   -1.1128    0.9811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7136    1.1583   -0.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3239    1.9998   -1.3661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8572   -0.4307    1.8387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9843   -1.6494    0.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4049   -0.6408    0.8639 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