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
   -0.9192    1.8439   -0.3065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2524    0.6641   -0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6940    0.4015    0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5258    1.4131   -0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2172   -0.9682    0.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029   -0.3604   -0.0514 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0785   -0.1876   -0.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9037   -1.2974    0.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2684   -1.2753    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8474   -0.0708   -0.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0846    1.0432   -0.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6887    0.9795   -0.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6011   -0.0467   -0.4829 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1757    2.4229   -0.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5821    1.2409    0.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5771   -1.5757    0.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3229   -1.4623   -0.7506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2509   -0.8874    0.6586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7084   -1.3354    0.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4416   -2.2450    0.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -2.1484    0.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5692    1.9620   -0.9226 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1748    1.8896   -0.7651 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