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
   -3.5171   -1.8096   -1.3678 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0008   -0.8239   -0.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7689    0.0247    0.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1916    0.9868    0.9979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8325    1.1257    1.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0094    0.2716    0.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6146   -0.6741   -0.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3843    0.4658    0.4540 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4086   -0.1351   -0.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0909   -0.9485   -1.2330 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.1288   -0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2657    0.9432    0.8298 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8423   -0.5556   -0.9473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6661   -2.7326   -0.9387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8511   -0.0473    0.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8447    1.6453    1.5782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4086    1.9036    1.7197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0225   -1.3403   -1.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7218    1.1382    1.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6281    1.4832    1.4967 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3332    1.1243    0.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4381   -1.5081   -1.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7351   -0.8340   -0.3441 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0725    0.1683   -1.7521 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