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
    4.4912    0.8475    0.7299 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3840    0.1196    0.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6502   -1.0462   -0.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5701   -1.7622   -0.8606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2562   -1.3178   -0.6187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9824   -0.1681    0.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1013    0.5521    0.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3139    0.3342    0.3187 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5320   -0.0888   -0.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4942   -1.0340   -1.1066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8097    0.5130    0.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9307    1.4729    0.9660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0478   -0.0147   -0.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2908    1.6987    1.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6786   -1.3527   -0.5794 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7457   -2.6780   -1.4038 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4553   -1.9432   -0.9941 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8983    1.4752    1.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3950    1.1332    1.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1140    1.9204    1.4967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9304    1.8652    1.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8005   -0.2965   -1.6228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2964   -0.9620   -0.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8397    0.7320   -0.5028 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