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
    5.4771    0.1746   -0.2888 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7408    0.1063   -0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0895    0.1013    1.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6939    0.0461    1.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9259   -0.0056    0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5996   -0.0004   -1.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9752    0.0547   -1.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4863   -0.0564    0.1238 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448   -0.1464    1.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8928   -0.6109    2.4439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5910    0.4417    0.9899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7641   -0.0936   -0.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8758   -0.5276   -0.9475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4152   -0.0223   -0.9634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2217    0.0523   -2.1966 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6960    0.1412    2.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2973    0.0495    2.1671 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0680   -0.0394   -2.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4288    0.0562   -2.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4289    1.5392    0.8978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3670    0.1535    1.6927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7940   -0.5115   -0.3802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9105   -0.9025   -1.9589 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