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
   -3.7228    1.7737   -1.1049 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0416    0.6986   -0.5404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7019   -0.3618    0.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0188   -1.4210    0.5854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6563   -1.4004    0.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8990   -0.3528   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6464    0.6583   -0.5322 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5114   -0.4297    0.0116 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4120    0.6031   -0.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9654    1.7217   -0.6485 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8646    0.3767   -0.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6678    1.3644   -0.5679 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3855   -0.9506    0.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9905    2.6006   -0.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7973   -0.3075    0.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5983   -2.2227    1.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0879   -2.2258    0.9956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1503    1.4923   -0.9893 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9378   -1.3759    0.2963 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7474    1.2880   -0.5559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2741    2.3282   -0.8573 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8618   -1.2571    1.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2312   -1.6865   -0.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4521   -0.9140    0.3734 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