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
   -0.8083   -1.5817    0.7303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2134   -0.4672    0.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6360   -0.1793    0.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1617    0.9156   -0.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5669   -1.2149    0.8145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2975    0.4631   -0.2544 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1040    0.3031   -0.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7924   -0.6790    0.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1813   -0.7518    0.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8898    0.1327   -0.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1737    1.1221   -1.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8257    1.1928   -1.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6235    0.0618   -0.7303 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6117    1.7257   -0.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2563    1.0818   -0.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7548   -1.0110    1.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5048   -1.1356    0.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0622   -2.1918    0.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7232    1.3672   -0.6305 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3243   -1.4136    0.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6953   -1.5389    0.7551 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7085    1.8181   -1.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2783    1.9809   -1.6094 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