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
   -3.6526    1.7465   -0.9846 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0241    0.6662   -0.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7426   -0.2766    0.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0972   -1.3215    0.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7244   -1.3995    0.9114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9408   -0.4506    0.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6284    0.5543   -0.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4592   -0.6136    0.2310 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3770    0.3384   -0.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0099    1.4437   -0.7262 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7990    0.0813   -0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3183   -1.0257    0.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7218    1.1237   -0.7506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8328    2.6164   -0.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8336   -0.1842    0.3514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6914   -2.0510    1.4764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2462   -2.2241    1.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1285    1.3287   -0.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8642   -1.5299    0.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7818   -1.8680    0.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4088   -1.1563    0.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5683    0.6733   -1.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0701    1.7230    0.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1644    1.8056   -1.4312 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