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
    1.2634    0.9424   -1.0448 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1028    0.7881    0.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0045    1.4121    1.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9097    1.3049    2.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1243    2.2396    0.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0315    0.0001    0.6453 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -0.6680   -0.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6996   -1.6504    0.5018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6638   -2.3077   -0.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9109   -2.0473   -1.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -1.0787   -2.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1616   -0.3854   -1.4467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1430   -2.8889   -2.4811 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6173    1.7970    3.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1474    0.7391    2.8986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5463    2.9116    1.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9464    1.5521    0.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7579    2.8660   -0.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0843   -0.1146    1.7054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5398   -1.9007    1.5634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2515   -3.0649    0.2574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3020   -0.8214   -3.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6009    0.3749   -1.9726 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