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
    3.7210    0.8830    1.7581 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9779    0.0640    0.8892 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5663   -0.9929    0.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8120   -1.7749   -0.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4828   -1.5151   -0.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8486   -0.4493   -0.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6338    0.3077    0.6732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5113   -0.2046   -0.4001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3479    0.6355    0.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9273    1.2459    1.3407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7385    0.7839   -0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5471    1.5675    0.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2546    0.0515   -1.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1637    1.6878    1.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6271   -1.2083    0.3895 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2748   -2.6229   -1.1322 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655   -2.1308   -1.4737 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2342    1.1714    1.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9231   -0.7190   -1.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5654    1.6580    0.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2342    2.1239    1.5279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7435    0.3550   -2.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3586    0.1363   -1.2878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0563   -1.0538   -1.1231 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