Monomers

N-(4-chlorophenyl)-2-methylprop-2-enamide

Identifiers

IUPAC name
N-(4-chlorophenyl)-2-methylprop-2-enamide
InchI
InChI=1S/C10H10ClNO/c1-7(2)10(13)12-9-5-3-8(11)4-6-9/h3-6H,1H2,2H3,(H,12,13)
InchI Key
GXRCTSFTSSWVCN-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)Nc1ccc(cc1)Cl
Canonical SMILES
CC(=C)C(=O)NC1=CC=C(C=C1)Cl
Isomeric SMILES
CC(=C)C(=O)NC1=CC=C(C=C1)Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10ClNO
Heavy Atom Count
13
Molecular Weight
195.649
Exact Molecular Weight
195.0451
Valence Electrons
68
Radical Electrons
0
tPSA
29.1
MolLogP
2.8546
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 23 23  0  0  0  0  0  0  0  0999 V2000
   -0.9440   -1.9129    0.1024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2986   -0.7260   -0.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7190   -0.3895   -0.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5887   -1.3617   -0.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1504    1.0080   -0.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3132    0.2832   -0.0206 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0609    0.1462    0.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7177   -1.0220    0.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0985   -1.0692    0.6258 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8488    0.0843    0.6244 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1970    1.2713    0.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8458    1.2949    0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5830    0.0145    0.8920 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750   -2.3755   -0.2012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6248   -1.1463   -0.5264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4354    1.4771   -1.2532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1421    1.0989   -0.9643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1588    1.5646    0.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7171    1.2720   -0.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2223   -1.9492    0.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5884   -2.0157    0.7930 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8035    2.1657    0.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4010    2.2871    0.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  2  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 10 13  1  0
 12  7  1  0
  4 14  1  0
  4 15  1  0
  5 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
  8 20  1  0
  9 21  1  0
 11 22  1  0
 12 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers