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
    5.4458    0.1911    0.8917 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7092    0.1468    0.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9212   -0.8872    1.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5490   -0.9283    0.9092 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    0.0810    0.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7184    1.1011   -0.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    1.1538   -0.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4819    0.0496   -0.0055 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1446    0.4996   -1.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6628    1.3084   -2.0082 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4805   -0.1913   -1.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7932   -0.2516    0.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9338   -0.1765    0.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4971   -0.4258    0.8944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3047   -0.9060    2.0516 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3748   -1.6966    1.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9751   -1.7545    1.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2587    1.8915   -0.8071 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756    1.9703   -0.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2614   -1.2300   -1.5617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2131    0.3397   -1.8183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0066   -0.2381    1.9359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8520   -0.0468    0.2936 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