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
   -3.6278    1.6865   -1.2152 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9937    0.5589   -0.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6497   -0.6158   -0.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9914   -1.7124    0.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6486   -1.6718    0.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9325   -0.4830    0.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6194    0.5932   -0.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4441   -0.5118    0.4047 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    0.3624   -0.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724    1.2098   -1.0261 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7894    0.3087    0.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2379   -0.5538    1.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7220    1.2600   -0.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0400    2.3922   -0.6066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7238   -0.6369   -0.6586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5705   -2.6249    0.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1320   -2.5434    0.7365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1124    1.5138   -0.6128 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7536   -1.2382    1.1253 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6679   -1.2899    1.6076 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154   -0.5746    1.3354 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7803    0.9016   -0.4317 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6177    2.2601    0.0472 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3620    1.4093   -1.4928 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