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
   -0.7110    1.9363   -0.4093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2008    0.8027   -0.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6643    0.6478   -0.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4255    1.6705   -0.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2144   -0.6797    0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3934   -0.2986    0.2501 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0244   -0.2524    0.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6927   -1.4901    0.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0486   -1.5746    0.4049 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7877   -0.4236    0.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1898    0.8152    0.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7958    0.8758    0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5474   -0.5547    0.4751 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.4913    1.5445   -0.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9858    2.6135   -0.6783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8327   -0.9845    1.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3141   -0.6046    0.2366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8205   -1.4328   -0.4509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8714   -1.2280    0.5037 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326   -2.4167    0.3522 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5871   -2.5307    0.4526 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    1.7241    0.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3358    1.8407    0.2541 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