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
   -3.6552    1.9151   -1.0515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0245    0.8005   -0.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7568   -0.2665   -0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1021   -1.3602    0.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7411   -1.3890    0.5473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9712   -0.3277    0.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6420    0.7346   -0.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4574   -0.4279    0.1733 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853    0.5753   -0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0088    1.6952   -0.5069 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8322    0.3084    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6711    1.2665   -0.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124   -1.0242    0.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1245    2.6911   -1.3917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8153   -0.2415   -0.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7354   -2.1787    0.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2318   -2.2448    0.9619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1117    1.5844   -0.8124 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8787   -1.3548    0.4961 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3881    2.2492   -0.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7316    1.0829   -0.1660 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1903   -1.8073   -0.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7052   -1.2778    1.3962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3505   -1.0027    0.8099 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