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
   -0.7680   -0.7968   -1.8290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2295   -0.3618   -0.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6956   -0.3142   -0.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5059   -0.7306   -1.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2428    0.2078    0.7207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3540    0.0902    0.2427 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0467    0.1202    0.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7303    0.6161    1.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1022    0.6851    1.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8426    0.2457    0.3211 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2160   -0.2493   -0.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8242   -0.2989   -0.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5901    0.3429    0.4300 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1770   -1.1237   -2.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5723   -0.6956   -1.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3296    0.1900    0.7562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7680   -0.3724    1.5423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8698    1.2584    0.8434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8415    0.4453    1.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1541    0.9572    2.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6257    1.0657    2.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8133   -0.5842   -1.6283 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4088   -0.6971   -1.7290 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