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
   -0.9706    1.6781   -0.0422 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2694    0.4420   -0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6954    0.0955    0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1274   -1.1365    0.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7240    1.1811    0.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2444   -0.5055   -0.0472 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1490   -0.2480   -0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625    0.9625    0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1638    1.0786   -0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9341   -0.0353   -0.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3505   -1.2635   -0.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9869   -1.3471   -0.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6820    0.1491   -0.3689 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4795   -2.0001    0.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1972   -1.3611    0.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3137    2.1336    0.4458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1628    1.3778   -0.9147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5436    0.8681    0.7522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862   -1.5251   -0.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    1.8434    0.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5865    2.0549    0.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9877   -2.1122   -0.5454 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5442   -2.3303   -0.4019 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