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
   -0.0392    2.1107    0.1925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8126    1.1980   -0.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1696    1.5437   -0.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5392    2.8050   -0.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0682    0.4607   -1.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3963   -0.1474   -0.2153 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8591   -0.6250    0.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9577    0.1718    0.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1892   -0.3775    0.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2574   -1.7253    0.9692 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1456   -2.5314    0.8453 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9618   -1.9845    0.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7604   -2.4561    1.4824 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5289    3.0708   -0.9284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8558    3.5563   -0.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0903   -0.3817   -0.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6568    0.0463   -2.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0865    0.8718   -1.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1134   -0.8633   -0.5564 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9031    1.2206    0.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145    0.2788    0.7772 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2154   -3.5958    1.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0926   -2.6465    0.3562 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