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
    0.7410    0.0176    2.0672 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1929   -0.1169    0.9155 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6705   -0.3429    0.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3832   -0.3815    1.7568 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1368   -0.4989   -0.6719 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3128   -0.0547   -0.1774 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0854    0.1540   -0.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7542    0.5507    0.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1495    0.7547    0.9862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8304    0.5289   -0.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1667    0.1270   -1.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8104   -0.0696   -1.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5783    0.7501   -0.2451 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9465   -0.4122    2.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5575   -0.5956    1.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1991   -0.7212   -0.7360 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5002   -1.3228   -1.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8382    0.4190   -1.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7976   -0.1861   -1.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2424    0.7498    1.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6302    1.0703    1.9019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7623   -0.0378   -2.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2666   -0.3822   -2.2297 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