3-(2,6-dichlorophenyl)pyrrolidine-2,5-dione

C10H7Cl2NO2 — CID 163627145

IUPAC3-(2,6-dichlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2c(Cl)cccc2Cl)C(=O)N1
InChIInChI=1S/C10H7Cl2NO2/c11-6-2-1-3-7(12)9(6)5-4-8(14)13-10(5)15/h1-3,5H,4H2,(H,13,14,15)
InChIKeyHSZNXKWYPMEQAG-UHFFFAOYSA-N
MW244.08 g/mol
LogP2.12
Rot. Bonds1

About 3-(2,6-dichlorophenyl)pyrrolidine-2,5-dione

3-(2,6-dichlorophenyl)pyrrolidine-2,5-dione (PubChem CID 163627145) has the molecular formula C10H7Cl2NO2 and a molecular weight of 244.08 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)pyrrolidine-2,5-dione
PubChem CID163627145
Molecular FormulaC10H7Cl2NO2
Molecular Weight244.08 g/mol
Exact Mass242.99
IUPAC Name3-(2,6-dichlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2c(Cl)cccc2Cl)C(=O)N1
InChIInChI=1S/C10H7Cl2NO2/c11-6-2-1-3-7(12)9(6)5-4-8(14)13-10(5)15/h1-3,5H,4H2,(H,13,14,15)
InChIKeyHSZNXKWYPMEQAG-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dichloroanilino)pyrrolidine-2,5-dione
CID 65467432
2-amino-6-(2,6-dichlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 44632237
ethyl (4S)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 1488619
(7R)-7-(2,6-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 52897599
5-chloro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
CID 82158894
ethane;(3R)-3-phenylpyrrolidine-2,5-dione
CID 91585654
cyclopentyl (4R)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7443777
3-(7-chloronaphthalen-1-yl)pyrrolidine-2,5-dione
CID 118511993
cycloheptyl (4R)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 40645287
[(2S)-butan-2-yl] (4S)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 40645270
3-(4-bromo-2,6-dichlorophenyl)piperidine-2,6-dione
CID 171541392
3-thiophen-2-ylpyrrolidine-2,5-dione
CID 67512850

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2,6-dichlorophenyl)pyrrolidine-2,5-dione (CID 163627145) is 3-(2,6-dichlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,6-dichlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,6-dichlorophenyl)pyrrolidine-2,5-dione is O=C1CC(c2c(Cl)cccc2Cl)C(=O)N1.
What is the InChIKey of 3-(2,6-dichlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is HSZNXKWYPMEQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO2/c11-6-2-1-3-7(12)9(6)5-4-8(14)13-10(5)15/h1-3,5H,4H2,(H,13,14,15).
What are the key properties of 3-(2,6-dichlorophenyl)pyrrolidine-2,5-dione?
3-(2,6-dichlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 244.08 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 163627145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).