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
   -0.7440   -1.9657    0.0379 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1798   -0.8048    0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6351   -0.6152    0.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4091   -1.6729    0.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2502    0.7317   -0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3714    0.3255   -0.0610 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0360    0.2783   -0.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7154    1.4974    0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0828    1.4911    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8383    0.3530   -0.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1969   -0.8458   -0.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8012   -0.8423   -0.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5886    0.4516   -0.2092 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9593   -2.6500    0.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4940   -1.5786    0.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7441    1.3687   -0.7909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3264    0.6236   -0.2477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1272    1.2839    0.9540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8364    1.2634   -0.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1460    2.4280    0.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5863    2.4628    0.1817 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7426   -1.7754   -0.5185 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3430   -1.8082   -0.4599 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