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
   -1.0663   -1.4613    1.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2866   -0.5407    0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6645   -0.2812   -0.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0258    0.6348   -1.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7828   -1.1167    0.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2102    0.2145   -0.3335 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1476    0.0713   -0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0419    0.9526   -0.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3920    0.9437   -0.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9283    0.0039    0.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0560   -0.8673    1.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6729   -0.8400    0.8325 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6551   -0.0537    0.7442 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3144    1.2802   -1.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0590    0.7637   -1.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2504   -1.7468   -0.4722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5664   -0.3997    0.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4534   -1.7616    1.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4952    0.9609   -1.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6703    1.7107   -1.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0735    1.6293   -0.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4619   -1.6063    1.7401 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0758   -1.5636    1.3576 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