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
   -3.7777    2.1614   -1.2137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0123    1.0376   -0.8802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6506   -0.1934   -0.7789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9170   -1.3133   -0.4518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5350   -1.2067   -0.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8752   -0.0121   -0.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6795    1.0887   -0.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5024    0.1849   -0.0857 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3426   -0.7736    0.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9313   -1.9193    0.8712 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7494   -0.4404    0.6652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5522   -1.3267    1.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2767    0.8662    0.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3860    3.0752   -1.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7105   -0.2404   -0.9601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4202   -2.2759   -0.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0362   -2.1207    0.0159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1794    2.0587   -0.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9184    1.0996   -0.3661 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6077   -1.1240    1.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2031   -2.3059    1.5297 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0295    1.0363   -0.8197 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    1.6689    0.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3396    0.9749    0.4698 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