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
   -0.9416   -1.8076   -0.5767 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2685   -0.9332   -1.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0362   -1.0499   -2.5581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3997   -2.0729   -3.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8360   -0.0025   -3.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1846    0.1584   -0.3538 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0328    0.3866    0.9958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7223   -0.3861    1.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8775   -0.0506    3.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3289    1.0909    3.7333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3804    1.8957    2.8753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5232    1.5526    1.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5473    1.4686    5.4279 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9895   -2.8642   -2.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1618   -2.1349   -4.2915 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9018   -0.0914   -2.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4687    1.0219   -2.9625 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8687   -0.1024   -4.2996 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7638    0.8666   -0.9331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1725   -1.2812    1.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4350   -0.6861    3.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8196    2.8026    3.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0945    2.2192    0.8976 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