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
   -0.8905    1.3421    1.3611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2560    0.4471    0.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6881    0.1465    0.4902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5158    0.8302    1.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1800   -0.9272   -0.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3592   -0.2698   -0.2030 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0328   -0.0849   -0.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8082   -0.7203   -1.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1678   -0.5921   -1.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8761    0.1634   -0.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1508    0.7938    0.6279 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7567    0.6636    0.6872 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6173    0.3286   -0.4232 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1562    1.5930    1.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5610    0.6312    1.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000   -0.8349   -1.4363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2805   -0.7505   -0.5990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9992   -1.9155    0.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7561   -1.0176   -0.8452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2628   -1.3287   -1.9407 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7577   -1.0858   -2.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6645    1.4053    1.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2477    1.1824    1.4936 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