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
   -3.5389   -1.5044   -1.7259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9439   -0.7651   -0.7238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6905   -0.1708    0.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0501    0.5557    1.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6900    0.7140    1.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9373    0.1089    0.2598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5470   -0.6235   -0.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4464    0.3107    0.3205 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4383   -0.3597   -0.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1144   -1.2485   -1.2273 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8495   -0.0568   -0.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7408   -0.7024   -0.9701 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2543    0.9897    0.6858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8184   -0.9957   -2.5755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7702   -0.3032    0.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6647    1.0118    2.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2028    1.2954    2.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0167   -1.1051   -1.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8271    1.0488    0.9827 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4550   -1.4748   -1.6754 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7877   -0.4766   -0.8598 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7496    0.7444    1.6643 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8567    1.9624    0.2742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3508    1.0447    0.8295 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