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
    0.8636    1.9417    0.2185 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2752    0.7752    0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7312    0.4815    0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5497    1.4949    0.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2105   -0.9106   -0.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3233   -0.2670   -0.0260 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0698   -0.1564    0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8012    0.9779    0.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2029    0.9576    0.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8590   -0.2457    0.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1566   -1.4259   -0.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7988   -1.3497   -0.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6060   -0.3121    0.0594 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    1.3440    0.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2023    2.5087    0.2477 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6999   -1.6200    0.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3037   -0.9039   -0.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9562   -1.1978   -1.2062 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7725   -1.2309   -0.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    1.9219    0.2497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7742    1.8796    0.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6546   -2.3827   -0.2075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2641   -2.2805   -0.2323 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