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
   -0.8871   -1.7011    0.4279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2715   -0.5267    0.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6800   -0.2137    0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1058    0.9947   -0.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6532   -1.3184    0.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2998    0.4769    0.0023 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1037    0.3089    0.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7799   -0.8833    0.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1765   -0.9836    0.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9101    0.1746    0.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2735    1.3952    0.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8974    1.4553    0.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6485    0.1093    0.3285 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1984    1.1728   -0.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5332    1.8818   -0.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6317   -0.8842    0.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6967   -1.9858   -0.5993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2935   -1.9314    1.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6415    1.4723   -0.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2240   -1.8086   -0.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6619   -1.9486    0.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8203    2.3236    0.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3967    2.4200    0.1654 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