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
   -1.1317    0.4324    1.8086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3351    0.1068    0.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7371   -0.0171    0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6818    0.1994    1.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0588   -0.3958   -1.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2899   -0.1181   -0.2769 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0769   -0.0018    0.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0407   -0.4754   -0.8593 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3829   -0.3863   -0.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8648    0.1747    0.5436 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9672    0.6465    1.4572 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5983    0.5476    1.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5918    0.2815    0.8413 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4239    0.4768    2.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7215    0.1107    0.8236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4369    0.0915   -1.9087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0359   -1.5077   -1.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1211   -0.1154   -1.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5623   -0.3920   -1.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -0.9212   -1.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -0.7725   -1.3651 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3220    1.0885    2.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9372    0.9471    1.9487 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