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
   -2.9362    2.6250   -1.5902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6506    1.4508   -0.9198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6681    0.6762   -0.4602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4262   -0.5008    0.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1147   -0.8612    0.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0418   -0.0856   -0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3355    1.0737   -0.7222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2493   -0.5883    0.2095 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4910   -0.0183   -0.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4913    1.0629   -0.7563 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7876   -0.6265    0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9487   -1.7548    0.8405 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0277    0.0880   -0.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8680    2.9491   -1.7628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6968    0.9624   -0.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2227   -1.1166    0.5777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9444   -1.7881    0.9305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5647    1.7032   -1.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3311   -1.5065    0.7355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0912   -2.3054    1.1690 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9241   -2.1270    1.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8317    1.1083   -0.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6881    0.1071    0.6808 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6080   -0.5276   -0.9766 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