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
    3.6413   -2.1151   -0.1213 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959   -0.8869   -0.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6832    0.2894   -0.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0697    1.5248   -0.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7057    1.5302   -0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9496    0.3357   -0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912   -0.8697   -0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4612    0.4482    0.0352 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3637   -0.5741   -0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9787   -1.7031   -0.6495 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8130   -0.2958   -0.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6367   -1.2765   -0.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2566    1.0289    0.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1279   -2.9751   -0.1026 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7818    0.3011   -0.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6337    2.4619   -0.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1693    2.4844   -0.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0664   -1.8097   -0.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8526    1.3953    0.3503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2824   -2.2423   -0.7584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7204   -1.1792   -0.3718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9845    1.1257    1.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3300    1.1937    0.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7355    1.8081   -0.3132 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