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
    0.2015    1.7402   -1.0916 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7202    1.0016   -0.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0964    1.3980   -0.9992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3257    2.4916   -1.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2569    0.5640   -0.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4346   -0.1625    0.0316 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8236   -0.6750    0.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8705   -1.8684    1.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0818   -2.3884    1.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2866   -1.7795    1.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2607   -0.6057    0.4851 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0270   -0.0914    0.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8105   -2.4717    1.6970 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3307    2.7774   -1.8990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5182    3.1114   -2.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4142   -0.3141   -1.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0709    0.2627    0.5161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1980    1.1502   -0.5669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2961   -0.7205    0.3268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0642   -2.3881    1.4035 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0791   -3.3078    2.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999   -0.1348    0.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0848    0.8303   -0.4467 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