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
   -3.8308   -1.7853   -0.0605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1120   -0.5986    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7470    0.6078    0.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0410    1.7868    0.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6741    1.6939    0.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9811    0.4710    0.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7185   -0.6745   -0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4288    0.5664    0.0400 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3168   -0.4560   -0.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8525   -1.5805   -0.6600 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7933   -0.2800   -0.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3583    0.8397    0.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6682   -1.4294   -0.6684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3869   -2.6738   -0.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8305    0.6787    0.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5755    2.7216    0.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    2.6219    0.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2248   -1.6265   -0.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8769    1.4849    0.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4363    0.9087    0.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8333    1.7284    0.3653 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3126   -1.0657   -1.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0380   -2.2939   -0.9615 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3076   -1.6458    0.2050 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