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
    4.1876   -1.9302   -0.3486 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2707   -0.8890   -0.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7479    0.3880    0.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8821    1.4276    0.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5044    1.1732    0.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0105   -0.0613    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9245   -1.0977   -0.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3487   -0.3962   -0.0825 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4605    0.4567    0.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2275    1.6754    0.3372 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8494    0.0675   -0.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2226   -1.1578   -0.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9114    1.0865    0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8672   -2.8637   -0.5450 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8151    0.5665    0.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2658    2.4051    0.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8892    2.0109    0.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5954   -2.1177   -0.4163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6357   -1.4106   -0.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3008   -1.4253   -0.3389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4944   -1.9244   -0.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5564    1.9514    0.7801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7760    0.5877    0.6731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1770    1.4773   -0.8338 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