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
   -0.9986   -1.6852   -0.1320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2861   -0.4505   -0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6657   -0.0041   -0.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0467    1.2426   -0.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7108   -1.0604   -0.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2398    0.4920    0.0544 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1311    0.2463    0.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0155    1.3212   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3682    1.1172    0.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9140   -0.1176    0.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0433   -1.1665    0.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493   -0.9825    0.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6586   -0.3353    0.5009 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1169    1.5185   -0.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4024    2.0966   -0.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2971   -1.9342   -0.8650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0041   -1.3376    0.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5995   -0.7158   -0.8512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5383    1.5196    0.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6175    2.3192   -0.2236 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0713    1.9381   -0.0233 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4065   -2.1608    0.7425 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0307   -1.8608    0.5730 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