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
    3.6763    2.5843   -0.0758 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0290    1.3509   -0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7525    0.1776    0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0980   -1.0329    0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7004   -1.0343    0.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9470    0.0847   -0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6567    1.2920   -0.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4597    0.1511   -0.0896 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3668   -0.9310   -0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9261   -2.0968    0.0019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8058   -0.7469   -0.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6074   -1.7895   -0.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3473    0.6159   -0.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1473    3.4449   -0.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8356    0.1802    0.0784 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557   -1.9626    0.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2549   -1.9996    0.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1127    2.2127   -0.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9526    1.1028   -0.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2467   -2.8155   -0.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6872   -1.6907   -0.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8510    1.2604    0.5802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1936    1.0526   -1.2113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4221    0.5897    0.0216 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