Monomers

2,5-Pyrrolidinedione, 1-(4-chlorophenyl)-3-methylene-

Identifiers

IUPAC name
1-(4-chlorophenyl)-3-methylidenepyrrolidine-2,5-dione
InchI
InChI=1S/C11H8ClNO2/c1-7-6-10(14)13(11(7)15)9-4-2-8(12)3-5-9/h2-5H,1,6H2
InchI Key
QTVOBMUYSKKMBK-UHFFFAOYSA-N
SMILES
Clc1ccc(cc1)N1C(=O)CC(=C)C1=O
Canonical SMILES
C=C1CC(=O)N(C1=O)C2=CC=C(C=C2)Cl
Isomeric SMILES
C=C1CC(=O)N(C1=O)C2=CC=C(C=C2)Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H8ClNO2
Heavy Atom Count
15
Molecular Weight
221.643
Exact Molecular Weight
221.0244
Valence Electrons
76
Radical Electrons
0
tPSA
37.38
MolLogP
2.1595
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
    5.5010   -0.2029    0.3803 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7499   -0.1330    0.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1123   -0.9854   -0.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7242   -0.9701   -0.6937 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9443   -0.1204    0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6011    0.7258    0.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791    0.7169    1.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4887   -0.1114   -0.0717 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2717   -1.1667   -0.5771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9023   -2.2585   -1.0723 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7263   -0.8327   -0.4549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7690    0.5729    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8053    1.3775    0.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3707    0.9351    0.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0242    2.0360    0.7655 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7029   -1.6658   -1.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3086   -1.6681   -1.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0784    1.4293    1.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4833    1.3756    1.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1328   -1.5344    0.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2658   -0.9022   -1.4086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6481    2.3694    0.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7801    1.0133   -0.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  3
 12 14  1  0
 14 15  2  0
  7  2  1  0
 14  8  1  0
  3 16  1  0
  4 17  1  0
  6 18  1  0
  7 19  1  0
 11 20  1  0
 11 21  1  0
 13 22  1  0
 13 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers