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
   -3.9231   -1.4775   -0.3755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0910   -0.3656   -0.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6061    0.9096   -0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7726    1.9791   -0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4187    1.8098    0.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8861    0.5301    0.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7034   -0.5355   -0.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5072    0.4387    0.1859 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2170   -0.7238   -0.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7018   -1.7573   -0.6835 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6796   -0.7764   -0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3454   -1.8546   -0.3764 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3657    0.3993    0.5448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5464   -2.3943   -0.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6908    1.0242   -0.2471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083    2.9732    0.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7646    2.6825    0.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3623   -1.5733   -0.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0850    1.2392    0.5840 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8603   -2.7265   -0.7954 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4187   -1.9205   -0.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4738    0.3091    0.3456 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2549    0.4547    1.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0639    1.3557    0.1006 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