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
    1.0024    1.6099    0.0213 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2935    0.3625    0.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7021   -0.0141    0.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0640   -1.2531    0.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7111    1.0672    0.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2443   -0.5746    0.0214 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1295   -0.2906   -0.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6153    0.9243   -0.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9923    1.1924   -0.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    0.1909   -0.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4160   -1.0610    0.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0730   -1.2920    0.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6251    0.4294   -0.3175 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4429   -2.1341    0.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1487   -1.4681    0.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6683    1.5662   -0.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7210    0.7025    0.4577 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3831    1.8336    0.9722 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5629   -1.6063    0.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0066    1.7717   -0.6742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3447    2.1695   -0.7882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1431   -1.8543    0.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7151   -2.2721    0.4648 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