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
    3.9257   -1.2936   -1.0119 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1080   -0.4247   -0.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6725    0.5052    0.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8891    1.3649    1.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5164    1.2889    1.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8923    0.3485    0.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7217   -0.4849   -0.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5071    0.3245    0.2101 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3374   -0.5235   -0.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8138   -1.3956   -1.2646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7948   -0.4393   -0.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5069   -1.2675   -1.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5218    0.5618    0.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2395   -2.1867   -0.6738 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7593    0.5635    0.5974 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3421    2.1020    1.8570 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8736    1.9703    1.6587 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3492   -1.2332   -1.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0675    1.0354    0.7959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0028   -1.9985   -1.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5745   -1.2548   -1.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6289    0.1997    1.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9841    1.5474    0.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5498    0.6903   -0.0893 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