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
   -4.0483    1.8023   -0.6607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1936    0.7526   -0.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7468   -0.4694   -0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8663   -1.4834    0.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4788   -1.2872    0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9252   -0.0718   -0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8385    0.9529   -0.3791 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4617    0.2192   -0.1167 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -0.6303    0.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2795   -1.7840    0.6517 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9335   -0.1944    0.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8732   -1.0425    0.5224 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3053    1.1557   -0.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4204    2.4410    0.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8279   -0.6299   -0.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2822   -2.4595    0.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8535   -2.1249    0.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3995    1.9298   -0.6201 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7662    1.1839   -0.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8984   -0.7522    0.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6311   -2.0571    0.8771 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660    1.1261   -0.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6555    1.5323   -1.1229 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1888    1.8909    0.5380 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