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
    3.3755    2.3854   -0.4094 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8760    1.0880   -0.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7505    0.0812    0.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2744   -1.1946    0.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9247   -1.4039    0.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0176   -0.3916   -0.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4951    0.8637   -0.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3339   -0.7171   -0.2395 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3644    0.2349   -0.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1129    1.4686    0.1378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7424   -0.1961   -0.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0633   -1.4347   -0.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8141    0.8234   -0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7398    3.1415   -0.6388 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    0.3026    0.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -1.9830    0.5540 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5285   -2.4070    0.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8925    1.7390   -0.5863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5627   -1.7456   -0.4430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1376   -1.7269   -0.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4025   -2.2774   -0.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7316    1.5828   -0.9412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5920    1.3630    0.8434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8249    0.4039   -0.1480 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