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
   -4.2366    1.6687    0.6942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3110    0.7408    0.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7310   -0.3816   -0.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8067   -1.2696   -0.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4392   -1.0461   -0.7115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9824    0.0485   -0.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9643    0.9340    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3538    0.3848    0.2337 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5127   -0.3475   -0.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3317   -1.4444   -0.7639 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8784    0.0465    0.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1799    1.1362    0.8479 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0041   -0.8275   -0.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6136    1.5467    1.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8053   -0.5309   -0.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0882   -2.1573   -1.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7761   -1.7732   -1.0936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6891    1.8471    0.9570 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5704    1.2934    0.7737 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4011    1.7976    1.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2090    1.4198    1.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7693   -0.8816    0.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6754   -1.8247   -0.5579 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5576   -0.3798   -1.1096 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