1-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)pyrrolidine-2,3,5-trione

C19H17Cl2NO4 — CID 54039545

IUPAC1-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)pyrrolidine-2,3,5-trione
SMILESCC1(C2CCCC2)Cc2cc(N3C(=O)CC(=O)C3=O)c(Cl)c(Cl)c2C1=O
InChIInChI=1S/C19H17Cl2NO4/c1-19(10-4-2-3-5-10)8-9-6-11(15(20)16(21)14(9)17(19)25)22-13(24)7-12(23)18(22)26/h6,10H,2-5,7-8H2,1H3
InChIKeyLLJKKQDKPJJDIK-UHFFFAOYSA-N
MW394.25 g/mol
LogP3.76
Rot. Bonds2

About 1-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)pyrrolidine-2,3,5-trione

1-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)pyrrolidine-2,3,5-trione (PubChem CID 54039545) has the molecular formula C19H17Cl2NO4 and a molecular weight of 394.25 g/mol. Its IUPAC name is 1-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)pyrrolidine-2,3,5-trione.

Molecular Properties

Compound Name1-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)pyrrolidine-2,3,5-trione
PubChem CID54039545
Molecular FormulaC19H17Cl2NO4
Molecular Weight394.25 g/mol
Exact Mass393.05
IUPAC Name1-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)pyrrolidine-2,3,5-trione
SMILESCC1(C2CCCC2)Cc2cc(N3C(=O)CC(=O)C3=O)c(Cl)c(Cl)c2C1=O
InChIInChI=1S/C19H17Cl2NO4/c1-19(10-4-2-3-5-10)8-9-6-11(15(20)16(21)14(9)17(19)25)22-13(24)7-12(23)18(22)26/h6,10H,2-5,7-8H2,1H3
InChIKeyLLJKKQDKPJJDIK-UHFFFAOYSA-N
XLogP3.76
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(6,7-dichloro-2-methyl-1-oxo-2-propan-2-yl-3H-inden-5-yl)pyrrolidine-2,3,5-trione
CID 53644663
1-(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)pyrrolidine-2,3,5-trione
CID 53845349
1-(6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl)pyrrolidine-2,3,5-trione
CID 54209063
1-(6,7-dichloro-2-methyl-1-oxo-2-propan-2-yl-3H-inden-5-yl)-3-hydroxypyrrole-2,5-dione
CID 70429742
1-(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)-3-hydroxypyrrole-2,5-dione
CID 70429774
1-(6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl)-3-hydroxypyrrole-2,5-dione
CID 70430045
1-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)-3-hydroxypyrrole-2,5-dione
CID 70454293
1-[(3R)-3-butan-2-yl-6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl]-3-hydroxypyrrole-2,5-dione
CID 70455166
1-(6,7-dichloro-2-methyl-1-oxo-2-propyl-3H-inden-5-yl)-3-hydroxypyrrole-2,5-dione
CID 70496767

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)pyrrolidine-2,3,5-trione?
The IUPAC name of 1-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)pyrrolidine-2,3,5-trione (CID 54039545) is 1-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)pyrrolidine-2,3,5-trione.
What is the SMILES notation for 1-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)pyrrolidine-2,3,5-trione?
The canonical SMILES for 1-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)pyrrolidine-2,3,5-trione is CC1(C2CCCC2)Cc2cc(N3C(=O)CC(=O)C3=O)c(Cl)c(Cl)c2C1=O.
What is the InChIKey of 1-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)pyrrolidine-2,3,5-trione?
The InChIKey is LLJKKQDKPJJDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO4/c1-19(10-4-2-3-5-10)8-9-6-11(15(20)16(21)14(9)17(19)25)22-13(24)7-12(23)18(22)26/h6,10H,2-5,7-8H2,1H3.
What are the key properties of 1-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)pyrrolidine-2,3,5-trione?
1-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)pyrrolidine-2,3,5-trione has a molecular weight of 394.25 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)pyrrolidine-2,3,5-trione is sourced from PubChem (CID 54039545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).