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
   -0.9489    1.0059   -1.1306 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2700    0.3463   -0.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6907    0.2578    0.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1992   -0.3902    1.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6794    0.9611   -0.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2513   -0.2631    0.6356 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1394   -0.2210    0.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9532   -0.9122    1.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3110   -0.9666    1.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9335   -0.3193    0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1682    0.3694   -0.7655 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7762    0.4090   -0.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6925   -0.3811   -0.0122 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2671   -0.3879    1.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5236   -0.9041    1.8906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2506    1.6489   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1865    1.5019   -1.4983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3964    0.1838   -1.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5899   -0.8113    1.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5204   -1.4493    2.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9037   -1.5247    1.9143 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6459    0.8909   -1.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098    0.9556   -1.3558 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