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
    0.6868    1.9185    0.1634 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2078    0.8017    0.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6568    0.7045    0.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3911    1.7662    0.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2841   -0.6245   -0.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3706   -0.3196   -0.1046 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0039   -0.2575   -0.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6982   -1.4927   -0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0481   -1.6029   -0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8366   -0.4984   -0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2041    0.7247   -0.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8183    0.8202   -0.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5807   -0.6634   -0.3131 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9216    2.7290    0.3405 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4662    1.7137    0.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1630   -0.9244   -1.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7249   -1.3316    0.6256 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3645   -0.5925    0.2238 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8536   -1.2797   -0.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1346   -2.4102   -0.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5278   -2.5752   -0.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8275    1.6064   -0.3975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4110    1.7877   -0.3188 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