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
    0.8341    1.8771   -0.3634 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2416    0.7159   -0.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6840    0.5621   -0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4699    1.5826   -0.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2343   -0.7706    0.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3458   -0.3508    0.0438 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0525   -0.2678   -0.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7748    0.9030   -0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1659    0.8914   -0.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8686   -0.2846   -0.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1680   -1.4703   -0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8055   -1.4557   -0.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6169   -0.3475   -0.3584 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5471    1.5633   -0.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0553    2.5809   -0.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3141   -0.7865    0.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7256   -1.5916   -0.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1091   -0.9394    1.3709 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7795   -1.2896    0.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2728    1.8782    0.0728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7026    1.8264   -0.1121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6983   -2.4367   -0.3301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2146   -2.3898   -0.1537 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