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
    5.4742    0.4411    0.2640 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7365    0.2925    0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0851   -0.8958    0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7079   -1.0090    0.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9469    0.0437   -0.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6208    1.2097   -0.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9819    1.3620   -0.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4559   -0.1020   -0.2326 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3082   -0.3995   -1.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8839   -0.9182   -2.4062 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7189   -0.0198   -1.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7319   -0.1481    0.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7877   -0.3909    1.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3474    0.0552    0.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9800    0.3281    2.0649 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7018   -1.7025    0.7834 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2190   -1.9410    0.5695 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0252    2.0414   -0.8148 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4459    2.3253   -0.6237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4529   -0.6350   -1.5301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8053    1.0533   -1.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7773   -0.5247    0.7946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6959   -0.4656    2.2822 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