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
   -0.6196   -1.2774    1.5538 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1697   -0.5538    0.6997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6398   -0.4841    0.6696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3060   -1.1964    1.5548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3296    0.3740   -0.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3641    0.1665   -0.2003 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0386    0.1969   -0.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6161    1.0002   -1.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9761    1.0920   -1.4403 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8507    0.3849   -0.6193 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2869   -0.4070    0.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9004   -0.5029    0.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5874    0.4835   -0.8024 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.3853   -1.2065    1.6068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7910   -1.8080    2.2749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8265    1.3551   -0.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4197   -0.1332   -1.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3510    0.5673    0.0488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9206    0.7573   -0.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9913    1.5689   -1.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3709    1.7237   -2.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9530   -0.9602    1.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5514   -1.1406    1.3064 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