3,4-di(propan-2-ylidene)-1-(2,4,6-trichlorophenyl)pyrrolidine-2,5-dione

C16H14Cl3NO2 — CID 88544902

IUPAC3,4-di(propan-2-ylidene)-1-(2,4,6-trichlorophenyl)pyrrolidine-2,5-dione
SMILESCC(C)=C1C(=O)N(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=C(C)C
InChIInChI=1S/C16H14Cl3NO2/c1-7(2)12-13(8(3)4)16(22)20(15(12)21)14-10(18)5-9(17)6-11(14)19/h5-6H,1-4H3
InChIKeyRHLKUAROJZXPRK-UHFFFAOYSA-N
MW358.65 g/mol
LogP5.19
Rot. Bonds1

About 3,4-di(propan-2-ylidene)-1-(2,4,6-trichlorophenyl)pyrrolidine-2,5-dione

3,4-di(propan-2-ylidene)-1-(2,4,6-trichlorophenyl)pyrrolidine-2,5-dione (PubChem CID 88544902) has the molecular formula C16H14Cl3NO2 and a molecular weight of 358.65 g/mol. Its IUPAC name is 3,4-di(propan-2-ylidene)-1-(2,4,6-trichlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-di(propan-2-ylidene)-1-(2,4,6-trichlorophenyl)pyrrolidine-2,5-dione
PubChem CID88544902
Molecular FormulaC16H14Cl3NO2
Molecular Weight358.65 g/mol
Exact Mass357.01
IUPAC Name3,4-di(propan-2-ylidene)-1-(2,4,6-trichlorophenyl)pyrrolidine-2,5-dione
SMILESCC(C)=C1C(=O)N(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=C(C)C
InChIInChI=1S/C16H14Cl3NO2/c1-7(2)12-13(8(3)4)16(22)20(15(12)21)14-10(18)5-9(17)6-11(14)19/h5-6H,1-4H3
InChIKeyRHLKUAROJZXPRK-UHFFFAOYSA-N
XLogP5.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.65
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Dimethachlon
CID 90363
1-(2,4-dichlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 243249
N-(p-Chlorophenyl)succinimide
CID 81369
1-(2,4,6-Trichlorophenyl)-1H-pyrrole-2,5-dione
CID 83195
3,4-Dichloro-1-(2,4-dichlorophenyl)pyrrole-2,5-dione
CID 716793
1-(2-Chlorophenyl)pyrrolidine-2,5-dione
CID 81893
2,5-Pyrrolidinedione, 1-(2,6-dichlorophenyl)-
CID 179409
2,5-Pyrrolidinedione, 1-(4-chlorophenyl)-3-methylene-
CID 181507
Cyto9B10
CID 2732938
Pyrrole-2,5-dione, 1-(2,6-dichlorophenyl)-
CID 181505
(5E)-5-ethylidene-4-methyl-2-oxo-1-(2,4,6-trichlorophenyl)pyrrole-3-carbonitrile
CID 24957205
4-Ethyl-5-methylidene-2-oxo-1-(2,4,6-trichlorophenyl)pyrrole-3-carbonitrile
CID 52947666

Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-ylidene)-1-(2,4,6-trichlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3,4-di(propan-2-ylidene)-1-(2,4,6-trichlorophenyl)pyrrolidine-2,5-dione (CID 88544902) is 3,4-di(propan-2-ylidene)-1-(2,4,6-trichlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-di(propan-2-ylidene)-1-(2,4,6-trichlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3,4-di(propan-2-ylidene)-1-(2,4,6-trichlorophenyl)pyrrolidine-2,5-dione is CC(C)=C1C(=O)N(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=C(C)C.
What is the InChIKey of 3,4-di(propan-2-ylidene)-1-(2,4,6-trichlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is RHLKUAROJZXPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO2/c1-7(2)12-13(8(3)4)16(22)20(15(12)21)14-10(18)5-9(17)6-11(14)19/h5-6H,1-4H3.
What are the key properties of 3,4-di(propan-2-ylidene)-1-(2,4,6-trichlorophenyl)pyrrolidine-2,5-dione?
3,4-di(propan-2-ylidene)-1-(2,4,6-trichlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 358.65 g/mol, XLogP of 5.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-ylidene)-1-(2,4,6-trichlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 88544902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).