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
   -1.1468   -1.5455    0.0762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3256   -0.2903    0.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6862    0.2256   -0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9658    1.4957   -0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8342   -0.7399   -0.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2060    0.5276    0.1952 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1562    0.1572    0.2931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6263   -1.1083    0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9915   -1.4299    0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9198   -0.4762    0.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4637    0.8053    0.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1282    1.1088    0.6358 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6304   -0.8827    0.7048 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0211    1.8145   -0.0871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2127    2.2593    0.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3255   -0.7302    0.8770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5949   -0.3680   -0.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4349   -1.7195   -0.4048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3999    1.5828    0.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9619   -1.9159   -0.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3329   -2.4500    0.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1942    1.5578    1.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7484    2.1217    0.8006 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