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
    0.8620   -1.8526    0.7269 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2635   -0.7818    0.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7120   -0.6203   -0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5532   -1.5961    0.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1892    0.6560   -0.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3366    0.2402   -0.0652 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0635    0.1975    0.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7851   -0.8261    0.6456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1767   -0.7043    0.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8439    0.4335    0.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1209    1.4835   -0.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7703    1.3439   -0.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5816    0.5960    0.5525 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1660   -2.5121    0.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6111   -1.4810    0.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9620    1.5048    0.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2281    0.6183   -0.9263 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5320    0.8301   -1.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7921    1.1128   -0.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3044   -1.7268    0.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7402   -1.5237    1.1839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5992    2.4076   -0.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2218    2.2005   -0.6679 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