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
    0.7068   -1.6361   -1.1201 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1953   -0.6947   -0.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6688   -0.5824   -0.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3977   -1.4910   -1.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3221    0.5033    0.3686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3476    0.2255    0.1564 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0734    0.2408    0.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8769   -0.7592   -0.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2563   -0.6670   -0.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8592    0.4504    0.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0814    1.4741    0.7086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7210    1.3760    0.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6205    0.5949    0.2702 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4763   -1.4631   -0.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9572   -2.3038   -1.5626 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3733    0.6077   -0.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7888    1.4802    0.2806 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3762    0.2235    1.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8488    1.0009    0.6906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4114   -1.6693   -0.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8455   -1.4727   -0.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5899    2.3654    1.1149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1233    2.1968    1.0671 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