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
   -1.0103    0.9425   -1.3564 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070    0.1380   -0.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7135   -0.1846   -0.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1396   -1.0084    0.6424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6968    0.4503   -1.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2536   -0.3627    0.3357 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1260   -0.0986    0.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7395    0.6303   -0.7338 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1298    0.8431   -0.7306 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9400    0.3284    0.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3338   -0.4099    1.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9758   -0.6137    1.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6799    0.5967    0.2514 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -1.4836    1.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2129   -1.2090    0.7089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6403    0.0435   -2.2281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7269    0.4411   -0.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3994    1.5345   -1.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5611   -1.0419    1.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1436    1.0521   -1.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5467    1.4290   -1.5298 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9769   -0.8130    2.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5315   -1.2040    2.0295 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