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
   -0.8962    1.2097    1.5371 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2436    0.4215    0.6205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6953    0.1892    0.3957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5670    0.8130    1.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1526   -0.7273   -0.6698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3402   -0.2599   -0.2121 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0603   -0.1331   -0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7084    0.3769    0.9997 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0899    0.4834    1.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8759    0.0942   -0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2028   -0.4187   -1.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8431   -0.5378   -1.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6190    0.2335   -0.0224 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2537    1.4860    1.9426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6247    0.6571    1.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2228   -0.5197   -0.9199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0771   -1.7654   -0.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6037   -0.5994   -1.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6993   -0.9138   -0.9728 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1648    0.7011    1.8990 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6228    0.8868    1.8752 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8372   -0.7275   -1.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3520   -0.9500   -2.0867 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