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
    3.7950    1.7527    0.1626 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787    0.5754    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6531   -0.6482   -0.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9094   -1.7917   -0.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5493   -1.7036   -0.3053 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9121   -0.4692   -0.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6788    0.6395    0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4994   -0.5357   -0.0313 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3889    0.5108    0.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9111    1.6344    0.5701 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8438    0.3428    0.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4416   -0.7817    0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6683    1.5222    0.6566 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7882    1.7733    0.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7475   -0.7018   -0.2804 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4503   -2.7082   -0.5523 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0027   -2.6264   -0.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2225    1.5933    0.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9867   -1.4593   -0.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9436   -1.7167   -0.2457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5440   -0.8235    0.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2792    2.0048    1.5945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5465    2.3107   -0.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7344    1.3062    0.7087 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