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
   -3.5626   -2.2932    0.1931 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9503   -1.0549   -0.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7396   -0.0086   -0.4747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1960    1.2247   -0.7492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8340    1.3752   -0.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0009    0.3176   -0.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5809   -0.8923    0.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3713    0.6107   -0.0833 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4408   -0.2970    0.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1463   -1.5342    0.1144 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8372    0.1259    0.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2551    1.3639    0.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8709   -0.9302    0.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8687   -2.4293    1.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8240   -0.1138   -0.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8002    2.0816   -1.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4156    2.3569   -0.8303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9926   -1.7177    0.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6435    1.6474   -0.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5459    2.1610    0.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2846    1.6629    0.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8878   -0.5558    0.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7045   -1.6411   -0.5103 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7775   -1.4598    1.3226 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