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
   -0.8174    1.7396    0.3019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2328    0.5357    0.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6337    0.2664    0.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1254   -0.9402    0.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5538    1.4111    0.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3260   -0.5162    0.0598 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0727   -0.3742   -0.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7973    0.7444    0.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1714    0.8080   -0.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8785   -0.2353   -0.6231 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -1.3666   -0.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8039   -1.4381   -0.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5985   -0.1442   -0.9217 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2042   -1.1238    0.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5673   -1.8405    0.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5757    1.2260    0.3498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4895    1.7773    1.7428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1614    2.2632    0.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6868   -1.5285    0.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3038    1.5963    0.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6858    1.7122    0.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6603   -2.2391   -1.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2477   -2.3334   -0.9359 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