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
    0.7348   -1.0900   -1.4006 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2273   -0.3513   -0.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6811   -0.2377   -0.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3107    0.4939    0.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -1.0039   -1.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3168    0.3040    0.3561 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0849    0.2474    0.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7504    1.0057    1.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1229    1.0207    1.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9007    0.2893    0.5266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2777   -0.4639   -0.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8715   -0.4548   -0.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6534    0.3011    0.6198 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7545    1.0530    1.1809 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792    0.5629    0.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4175   -1.3398   -0.9054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9430   -1.9345   -1.7044 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7517   -0.4052   -2.3014 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7973    0.9129    1.0938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2035    1.6041    2.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6553    1.6016    2.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8509   -1.0604   -1.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4344   -1.0550   -1.2586 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