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
   -0.9169    1.4818    0.6625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2186    0.4851   -0.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6538    0.3587   -0.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1325   -0.6249   -1.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6086    1.4084    0.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2877   -0.4734   -0.4791 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0880   -0.3966   -0.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6868    0.4046    0.7402 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0650    0.4476    0.9762 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8858   -0.3659    0.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3061   -1.1879   -0.7009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9517   -1.2219   -0.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6179   -0.3817    0.4628 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2110   -0.6372   -1.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5510   -1.4391   -1.4956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2358    1.8015   -0.6829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0284    2.2377    0.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2209    0.9759    0.9696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207   -1.2968   -1.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0845    1.0572    1.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5161    1.0894    1.7100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9689   -1.8353   -1.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5154   -1.8871   -1.6820 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