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
   -0.8588   -1.5549   -0.5768 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2578   -0.4379   -0.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6937   -0.1786   -0.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1621    0.9344    0.4277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6543   -1.2064   -0.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2857    0.4450    0.3798 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1222    0.2727    0.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9139    1.3860    0.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2910    1.3333    0.7642 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9272    0.1407    0.4948 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1877   -0.9750    0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7857   -0.9017    0.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6929    0.0869    0.5668 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5496    1.7161    0.8255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2579    1.0645    0.4201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2599   -1.6499   -1.5417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8422   -1.9863    0.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5962   -0.7061   -0.8421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6731    1.3595    0.7786 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3968    2.3137    0.9179 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8370    2.2464    1.0206 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6918   -1.9089   -0.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2450   -1.7935   -0.1148 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