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
    1.1511    1.8062    0.0263 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3570    0.5837   -0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7506    0.1012   -0.2906 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7614    0.9377   -0.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0355   -1.3444   -0.4625 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2769   -0.3232   -0.1135 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0939   -0.0065    0.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6108    1.2201    0.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9962    1.3832    0.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8842    0.3422    0.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3644   -0.9049    0.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0134   -1.0515   -0.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6126    0.5459    0.4411 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7685    0.5946   -0.4204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5881    1.9921   -0.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8545   -1.6729   -1.5016 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0884   -1.5799   -0.1697 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4145   -1.9226    0.2801 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5380   -1.3240   -0.2392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9692    2.0790    0.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3981    2.3654    0.6387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0011   -1.7716   -0.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6406   -2.0499   -0.3053 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