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
   -0.9830    1.1816    1.2942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2851    0.2864    0.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7110   -0.0314    0.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1235   -0.9368   -0.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7523    0.7065    1.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2652   -0.3594   -0.2264 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1279   -0.1519   -0.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9897   -0.9178   -0.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3606   -0.7866   -0.8914 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9559    0.1316   -0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1433    0.9065    0.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7512    0.7525    0.6888 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7024    0.3382    0.0128 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4496   -1.5086   -1.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1744   -1.1327   -0.6847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5241   -0.0386    1.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2416    1.4532    0.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3229    1.2407    1.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5679   -1.1006   -0.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5627   -1.6686   -1.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0067   -1.3819   -1.5043 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6044    1.6340    1.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1959    1.3839    1.3295 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