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
    4.0977   -1.7107    1.2260 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2156   -0.7982    0.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6992    0.3925    0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8420    1.3242   -0.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4702    1.0379   -0.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9447   -0.1271    0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8737   -1.0295    0.6189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4242   -0.4991    0.0815 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5150    0.2827   -0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3284    1.4520   -0.6990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8701   -0.2175   -0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1681   -1.4119    0.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0254    0.6559   -0.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0772   -1.5847    1.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7779    0.6001    0.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2077    2.2748   -0.7337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8166    1.7802   -0.8234 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5314   -1.9789    1.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6373   -1.4761    0.4076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4377   -2.1141    0.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2071   -1.7385    0.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2410    0.4713   -1.7499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7665    1.7189   -0.5264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9332    0.3685   -0.1150 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