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
   -3.7869   -1.4390   -1.4692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9942   -0.3815   -1.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5280    0.8810   -0.9124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7667    1.9377   -0.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4407    1.6947   -0.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8423    0.4473   -0.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6364   -0.5709   -0.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5089    0.3174    0.0040 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3012   -0.8556    0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7754   -1.9499   -0.3073 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7299   -0.7869    0.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4382   -1.8812    0.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3407    0.5046    0.7437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2745   -1.9769   -0.7584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5579    1.0490   -1.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1370    2.9407   -0.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8309    2.5483    0.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2824   -1.5677   -0.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    1.2057    0.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9842   -2.8179    0.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4801   -1.8450    0.6367 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3468    0.3539    1.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7092    1.0912    1.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4231    1.1009   -0.2053 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