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
   -1.1344   -1.2336   -1.1703 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3024   -0.1710   -0.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6749    0.3455   -0.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9602    1.4365    0.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7835   -0.4260   -0.9104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1792    0.4833    0.0127 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1553    0.0498   -0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900    0.9749    0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5094    0.6796    0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8756   -0.6052   -0.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8931   -1.5210   -0.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5248   -1.2318   -0.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5809   -0.9677   -0.3998 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9865    1.7917    0.4802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2040    2.0469    0.8130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5253    0.2409   -1.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4430   -1.1848   -1.6455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2783   -0.9711   -0.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3418    1.3806    0.5668 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8648    1.9712    0.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2300    1.4579    0.2389 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1863   -2.5325   -0.8063 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8032   -2.0143   -0.6537 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