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
   -0.5406    2.0243    0.4270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1297    0.9317    0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6119    0.9091    0.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2678    2.0355    0.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3650   -0.3405    0.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3854   -0.2391    0.1148 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0157   -0.3592    0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9353    0.6468    0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3069    0.4397    0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7994   -0.8230   -0.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9082   -1.8689   -0.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5563   -1.6383   -0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5451   -1.1116   -0.2053 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7253    2.9602    0.6274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3436    2.0826    0.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3102   -0.7091   -0.8417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3961   -0.2844    0.5829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8445   -1.1067    0.8518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9883   -1.1191    0.0155 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6223    1.6493    0.3022 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9926    1.2793    0.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3130   -2.8453   -0.3642 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9135   -2.5133   -0.2376 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