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
    3.8867   -1.4976    0.5803 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0300   -0.4067    0.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5680    0.8418    0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7255    1.9341    0.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3799    1.7101    0.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8324    0.4152    0.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6613   -0.6682    0.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5506    0.3108    0.0256 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3105   -0.8633    0.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7911   -1.9452    0.5998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7757   -0.7931    0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5213   -1.8618    0.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4317    0.4657   -0.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8696   -1.4121    0.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    0.9898    0.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1075    2.9486    0.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7347    2.5943    0.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3410   -1.6925    0.3208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0963    1.1826   -0.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5905   -1.8166    0.0611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0256   -2.7745    0.5266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3806    1.1598    0.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4467    0.2936   -0.7570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8528    0.8851   -1.2694 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