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
   -1.5918   -0.9846    0.3333 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2797    0.2557    0.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3123    1.2494    0.6229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0336    2.5103    0.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6842    0.7508    0.9271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0569    0.6009    0.0192 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0857   -0.2939   -0.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4087    0.1624   -0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4794   -0.6481   -0.5154 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2645   -1.9548   -0.8993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9915   -2.4107   -0.9708 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9058   -1.5787   -0.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6495   -2.9574   -1.2746 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8631    3.2001    0.8567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0794    2.9592    0.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6764   -0.0091    1.7339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2895    1.6056    1.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1549    0.3802   -0.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3027    1.6540    0.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5854    1.2050    0.0924 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4935   -0.2434   -0.4461 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8150   -3.4328   -1.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0738   -2.0201   -0.7591 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