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
    1.0113    1.3603   -0.9228 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655    0.2023   -0.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6633   -0.2283   -0.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0022   -1.3773    0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6975    0.6638   -1.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2119   -0.5535    0.0979 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1394   -0.1571    0.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6845    0.8325   -0.6647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0366    1.1390   -0.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8574    0.5037    0.3532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3068   -0.4871    1.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9953   -0.8123    1.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5398    0.8843    0.5279 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2943   -2.0481    0.4679 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0459   -1.7136    0.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7603    0.4524   -2.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7178    0.4371   -0.6202 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5168    1.7351   -0.7992 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4307   -1.5093    0.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0822    1.3493   -1.3783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4438    1.9207   -1.1488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9411   -1.0011    1.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5908   -1.5928    1.6490 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