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
    1.2617    1.2839    0.6155 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3611    0.1257    0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6918   -0.4075   -0.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8584   -1.5744   -0.7257 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625    0.4548    0.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1496   -0.5172   -0.2250 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1671   -0.0765   -0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5266    0.9806    0.7848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8640    1.3708    0.9336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8712    0.7097    0.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5263   -0.3565   -0.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2258   -0.7379   -0.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5481    1.1775    0.4592 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0418   -2.1908   -1.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8568   -1.9477   -0.9026 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7760   -0.0788   -0.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7906    1.4536   -0.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8808    0.5895    1.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2603   -1.4816   -0.6765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7623    1.5225    1.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0779    2.2045    1.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2920   -0.9248   -1.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9302   -1.5796   -1.2925 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