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
   -0.8648    1.4254   -1.4134 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2648    0.5927   -0.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7132    0.4567   -0.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5582    1.2100   -1.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2448   -0.5267    0.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3504   -0.1922    0.1208 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0607   -0.1831    0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7951    0.6167   -0.7966 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1969    0.5628   -0.8318 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9142   -0.3008   -0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1720   -1.1110    0.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8018   -1.0615    0.8285 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6646   -0.3771   -0.0753 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1715    1.9355   -1.7629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6114    1.1680   -0.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0572   -0.2234    1.6673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3326   -0.6321    0.4916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7005   -1.4862    0.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7850   -0.8777    0.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3113    1.3268   -1.4541 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7556    1.2129   -1.4963 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7273   -1.8050    1.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550   -1.7309    1.5110 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