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
   -4.1908    1.5542    0.3056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2403    0.5366    0.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6444   -0.7630    0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6981   -1.7396   -0.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3189   -1.4636   -0.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9358   -0.1585    0.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9032    0.8439    0.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4087    0.2107    0.0374 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5046   -0.5819   -0.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3437   -1.7440   -0.8170 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8477    0.0008   -0.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8726   -0.7301   -0.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0870    1.3633    0.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8507    2.4910    0.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7202   -0.9738   -0.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9970   -2.7780   -0.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6571   -2.3098   -0.2336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5767    1.8671    0.2994 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6484    1.1951    0.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7077   -1.7521   -1.0530 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8572   -0.3086   -0.6039 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0963    1.7178   -0.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750    2.1047   -0.1924 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9845    1.4178    1.3350 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