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
   -0.9042    1.6126   -0.4311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2453    0.4206   -0.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6388    0.0400   -0.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0388   -1.1873   -0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6475    1.1125   -0.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2524   -0.5493    0.0091 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1213   -0.2847    0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9654   -1.3799   -0.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3138   -1.1538   -0.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8267    0.0969    0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0092    1.1795    0.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6186    0.9596    0.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5704    0.3411    0.1511 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4298   -2.0532    0.1871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1257   -1.4384   -0.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6705    0.7363   -0.5219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5399    1.8269    0.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3378    1.6692   -1.3714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5534   -1.5730    0.1843 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5644   -2.3674   -0.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9923   -1.9841   -0.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3935    2.1471    0.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0084    1.8289    0.5223 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