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
   -0.9379   -1.5393   -1.2622 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -0.5434   -0.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7180   -0.2495   -0.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5945   -1.0177   -1.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1481    0.9202    0.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3350    0.2601    0.0212 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0631    0.1146    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7002   -0.9922   -0.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1106   -1.0711   -0.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8918   -0.0462    0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2530    1.0752    0.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8779    1.1540    0.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6334   -0.2012   -0.0091 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625   -1.8647   -1.6277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6488   -0.8348   -0.9974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6737    1.8749   -0.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2702    1.0045    0.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8306    0.7590    1.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7393    1.0928    0.5715 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1529   -1.8431   -0.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5809   -1.9819   -0.8486 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8403    1.9000    0.8713 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3549    2.0298    0.8628 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