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
    1.0629   -1.3986   -0.8110 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3119   -0.3219   -0.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7187    0.0612    0.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0451    1.1474    0.6979 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8233   -0.8052   -0.4584 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2237    0.4343    0.2741 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1563    0.1623    0.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6948   -0.9942   -0.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0821   -1.1800   -0.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9736   -0.1990   -0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4472    0.9711    0.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0904    1.1457    0.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7116   -0.4195   -0.3196 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3674    1.8639    1.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1012    1.4130    0.8557 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4339   -1.5263   -1.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6068   -0.2150   -0.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3319   -1.3590    0.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5003    1.3234    0.8003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0549   -1.8042   -0.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4742   -2.1078   -0.9166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1590    1.7351    0.6334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6830    2.0733    0.8787 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