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
   -0.7880   -1.2793    1.4418 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172   -0.5118    0.5663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6595   -0.3901    0.4051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4960   -1.0708    1.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1904    0.5193   -0.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3663    0.2333   -0.2630 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0291    0.1787   -0.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625    1.1631   -0.8688 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1392    1.1581   -0.8499 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8309    0.1907   -0.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1349   -0.7838    0.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7319   -0.7634    0.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6054    0.1877   -0.1417 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1623   -1.7486    1.9335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5650   -0.9775    1.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9728    0.0780   -1.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2654    0.6703   -0.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7193    1.5214   -0.5972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8265    0.8868   -1.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2749    1.9513   -1.4267 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7357    1.9060   -1.3673 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6890   -1.5448    1.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949   -1.5747    1.0304 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