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
   -1.0917    1.3529   -0.8096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3217    0.2738   -0.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7179   -0.0793    0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0484   -1.1719    0.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7629    0.8324   -0.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2271   -0.4801    0.2528 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1320   -0.1661    0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6745    0.9177   -0.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0429    1.1395   -0.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9178    0.2403   -0.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4161   -0.8771    0.5007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0673   -1.0755    0.6081 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6557    0.4133   -0.2320 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1225   -1.3907    0.7576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3652   -1.8687    1.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9530    0.5165   -1.5699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6882    0.8051    0.1009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4022    1.8871   -0.5699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4918   -1.3789    0.7701 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0508    1.6528   -0.9707 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4152    2.0178   -1.1690 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0847   -1.5921    0.9166 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7357   -1.9686    1.1216 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