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
    1.4457   -1.5217   -0.2334 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4385   -0.2768   -0.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7182    0.4715   -0.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8300   -0.2224   -0.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7153    1.9364    0.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2484    0.4336    0.0476 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0472   -0.1457    0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1482    0.6244    0.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4270    0.1237    0.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7204   -1.1549    0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6596   -1.9201   -0.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3501   -1.4116   -0.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3702   -1.7495    0.0191 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8046   -1.2927   -0.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7905    0.2687   -0.1643 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2854    2.2094    1.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9923    2.3693   -0.6253 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7186    2.3756   -0.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3278    1.5055    0.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9025    1.6249    0.7846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2625    0.7435    0.7765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8604   -2.9268   -0.7409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5673   -2.0643   -0.7436 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