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
   -1.0793   -0.7647    1.3771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3071   -0.1729    0.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7093    0.0324   -0.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0524    0.6205   -1.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7464   -0.4596    0.8742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2230    0.2343   -0.5332 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1351    0.0348   -0.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1012    0.7583   -0.9483 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4404    0.6095   -0.7082 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9379   -0.2407    0.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0108   -0.9502    0.9806 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6296   -0.8076    0.7445 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6607   -0.3923    0.5202 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3492    0.9858   -1.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1005    0.7539   -1.4086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6095   -0.8818    0.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3419   -1.2538    1.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1315    0.4096    1.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4897    0.7207   -1.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7456    1.4385   -1.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1968    1.1667   -1.2771 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3283   -1.6352    1.7514 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9532   -1.4081    1.3468 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