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
    3.9754    2.0668   -0.3383 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1512    0.9578   -0.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7735   -0.2695   -0.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9637   -1.3682   -0.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5627   -1.2690    0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9388   -0.0570    0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7832    1.0530   -0.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4549    0.1700    0.0600 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4792   -0.7996    0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1703   -2.0074   -0.0205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8969   -0.3929    0.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8404   -1.3138    0.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2835    1.0352    0.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6008    3.0228   -0.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482   -0.3646   -0.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4243   -2.3502    0.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828   -2.1598    0.1656 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3240    2.0320   -0.1766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8157    1.1812    0.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5609   -2.3537    0.0453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8791   -1.0505    0.1529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6832    1.5646   -0.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9335    1.4572    1.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3311    1.2157   -0.0267 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