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
   -3.8109    0.5068   -1.6552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0776    0.0069   -0.5992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7249   -0.6154    0.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0029   -1.1168    1.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6319   -0.9875    1.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9287   -0.3543    0.4643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6791    0.1256   -0.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4669   -0.2737    0.5747 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3649    0.3124   -0.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8996    0.8342   -1.3847 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167    0.3470   -0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3890   -0.1680    0.9224 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6835    0.9933   -1.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1451    1.4535   -1.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8123   -0.7189    0.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5510   -1.6041    2.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1078   -1.4028    2.3609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2552    0.6219   -1.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9516   -0.6932    1.4369 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4860   -0.1243    1.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8946   -0.6618    1.7397 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3593    1.6859   -0.5939 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3278    0.2510   -1.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875    1.5823   -1.8639 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