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
   -0.9460    0.0410    1.5090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2745    0.0096    0.2707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7134    0.0211   -0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1033   -0.0092   -1.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6928    0.0677    1.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375   -0.0335   -0.6689 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1366   -0.0527   -0.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9920    0.3268   -1.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3504    0.3373   -1.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9193   -0.0200   -0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0754   -0.3826    0.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6904   -0.4075    0.8493 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6657   -0.0073    0.2065 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4233   -0.0432   -2.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1573   -0.0002   -1.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2111    0.0351    2.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4408   -0.7294    0.9958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2637    1.0378    0.9552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5190   -0.0595   -1.6984 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5894    0.6182   -2.3487 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0123    0.6358   -2.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4878   -0.6719    1.9428 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0635   -0.7132    1.6617 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