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
    4.3360    1.1860    1.2754 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250    0.5002    0.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6488   -0.4917   -0.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6887   -1.1841   -1.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -0.8627   -0.7967 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9705    0.1028    0.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7814    0.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3462    0.4764    0.3696 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4840   -0.2622    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3934   -1.3590   -0.6390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8327    0.1705    0.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0979    1.2716    0.9759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9872   -0.6926   -0.1155 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6231    0.7823    2.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6847   -0.7604   -0.5063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9280   -1.9611   -1.7211 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6245   -1.4196   -1.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7431    1.5692    1.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5203    1.3832    0.9075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1656    1.4931    1.1607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3342    1.9429    1.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2127   -0.4100   -1.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6645   -1.7667   -0.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8754   -0.4892    0.5199 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