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
    0.6710    1.7142   -0.9598 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1639    0.7482   -0.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6310    0.7273   -0.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3184    1.7052   -0.7373 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2519   -0.3891    0.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4165   -0.2916    0.2467 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9920   -0.3448    0.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7803    0.4274   -0.6442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1636    0.3184   -0.6584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8365   -0.5793    0.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0544   -1.3662    0.9526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6888   -1.2624    0.9704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5822   -0.7277    0.1303 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8148    2.4979   -1.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3942    1.7149   -0.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7474   -0.5255    1.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3341   -0.1214    0.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1824   -1.3025   -0.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9331   -1.0701    0.7674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3731    1.1548   -1.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7675    0.9566   -1.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5391   -2.0921    1.6012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0811   -1.8919    1.6209 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