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
    0.8912    1.4025   -1.0527 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    0.3425   -0.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6672    0.0404   -0.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0933   -1.0181    0.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6539    1.0047   -0.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2624   -0.5006    0.1098 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1362   -0.2804    0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7110    0.5305   -0.9172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1063    0.7379   -0.9525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8849    0.0879   -0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3178   -0.7325    0.9446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9635   -0.9246    0.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6158    0.3034    0.0068 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4559   -1.7474    0.7765 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1937   -1.1663    0.3654 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6682    0.5485   -0.9416 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3832    1.2216   -1.9691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6965    1.9161   -0.2847 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5756   -1.3914    0.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1228    1.0295   -1.6725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5241    1.3871   -1.7069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9340   -1.2245    1.6678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4790   -1.5668    1.7037 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