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
    3.7684    1.5482    1.0871 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0484    0.5824    0.3927 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6894   -0.4191   -0.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9160   -1.3448   -0.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5448   -1.2620   -0.9357 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8557   -0.2544   -0.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6480    0.6367    0.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5273   -0.2802   -0.2771 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4493    0.5943    0.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0045    1.5340    0.9967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8987    0.4379    0.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7043    1.2955    0.7826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4103   -0.6893   -0.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7723    1.5117    1.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7682   -0.4817   -0.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4482   -2.1173   -1.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0086   -2.0364   -1.4918 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081    1.4239    0.9561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0082   -1.0592   -0.8356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3351    2.1163    1.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7798    1.1965    0.6945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1643   -1.6291   -0.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5108   -0.6042   -0.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8836   -0.6998   -1.5908 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