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
    1.2186   -0.4625    1.5456 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3871   -0.1285    0.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7624    0.0188   -0.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7984   -0.1960    0.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9664    0.4226   -1.4986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2740    0.0884   -0.4313 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0755   -0.0113   -0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0007    0.2676   -1.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3627    0.2005   -0.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8603   -0.1561    0.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9935   -0.4388    1.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6088   -0.3584    1.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5750   -0.2682    0.5872 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6170   -0.4849    1.7215 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8004   -0.0750    0.3269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3556   -0.2311   -2.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0392    0.2889   -1.7813 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7281    1.4840   -1.6821 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5431    0.3758   -1.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6643    0.5567   -2.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0764    0.4120   -1.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3198   -0.7261    2.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9531   -0.5785    1.8674 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