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
    3.9132    1.6615    0.1000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1199    0.5375    0.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6695   -0.6779    0.6236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8563   -1.7840    0.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5014   -1.6633    0.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8834   -0.4506    0.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7376    0.6019    0.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5301   -0.4119    0.1451 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2910    0.7694    0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7901    1.9098    0.0693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7416    0.6286   -0.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4984    1.7025   -0.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3906   -0.7078   -0.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5184    2.5409   -0.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7452   -0.7494    0.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3429   -2.7091    1.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8709   -2.5302    0.7884 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3447    1.5700   -0.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0011   -1.3690    0.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500    2.6873   -0.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5653    1.6030   -0.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8048   -1.4119   -0.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4225   -1.0906    0.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4181   -0.6568   -0.5644 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