3-tert-butyl-1-(3-oxoheptyl)pyrrolidine-2,5-dione

C15H25NO3 — CID 58051575

IUPAC3-tert-butyl-1-(3-oxoheptyl)pyrrolidine-2,5-dione
SMILESCCCCC(=O)CCN1C(=O)CC(C(C)(C)C)C1=O
InChIInChI=1S/C15H25NO3/c1-5-6-7-11(17)8-9-16-13(18)10-12(14(16)19)15(2,3)4/h12H,5-10H2,1-4H3
InChIKeyFUDKGFUMZHQTNN-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.56
Rot. Bonds6

About 3-tert-butyl-1-(3-oxoheptyl)pyrrolidine-2,5-dione

3-tert-butyl-1-(3-oxoheptyl)pyrrolidine-2,5-dione (PubChem CID 58051575) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-tert-butyl-1-(3-oxoheptyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-(3-oxoheptyl)pyrrolidine-2,5-dione
PubChem CID58051575
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3-tert-butyl-1-(3-oxoheptyl)pyrrolidine-2,5-dione
SMILESCCCCC(=O)CCN1C(=O)CC(C(C)(C)C)C1=O
InChIInChI=1S/C15H25NO3/c1-5-6-7-11(17)8-9-16-13(18)10-12(14(16)19)15(2,3)4/h12H,5-10H2,1-4H3
InChIKeyFUDKGFUMZHQTNN-UHFFFAOYSA-N
XLogP2.56
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane
CID 164585932
3-tert-butyl-1-(2-ethoxyethyl)pyrrolidine-2,5-dione
CID 177273757
3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-(2-dimethylphosphanylethyl)propanamide
CID 145127897
3-tert-butyl-1-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]pyrrolidine-2,5-dione
CID 134403475
3-tert-butyl-1-[6-[(3R)-3-tert-butylpyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2,5-dione
CID 134402052
3-tert-butyl-1-[7-[(3R)-3-tert-butylpyrrolidin-1-yl]-7-oxoheptyl]pyrrolidine-2,5-dione
CID 134402061
6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2,2-dimethylpropanoyl(methyl)amino]ethyl]-N-methylhexanamide
CID 176877362
6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-[2-[6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide
CID 162456959
1-(3,20-dioxohenicosyl)-3-methylpyrrolidine-2,5-dione
CID 58143563
1-pentyl-3-sulfanylpyrrolidine-2,5-dione
CID 143784409
ethane;1-pentyl-3-sulfanylpyrrolidine-2,5-dione
CID 143784408
3-tert-butyl-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 86073076

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(3-oxoheptyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-(3-oxoheptyl)pyrrolidine-2,5-dione (CID 58051575) is 3-tert-butyl-1-(3-oxoheptyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-(3-oxoheptyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-(3-oxoheptyl)pyrrolidine-2,5-dione is CCCCC(=O)CCN1C(=O)CC(C(C)(C)C)C1=O.
What is the InChIKey of 3-tert-butyl-1-(3-oxoheptyl)pyrrolidine-2,5-dione?
The InChIKey is FUDKGFUMZHQTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-6-7-11(17)8-9-16-13(18)10-12(14(16)19)15(2,3)4/h12H,5-10H2,1-4H3.
What are the key properties of 3-tert-butyl-1-(3-oxoheptyl)pyrrolidine-2,5-dione?
3-tert-butyl-1-(3-oxoheptyl)pyrrolidine-2,5-dione has a molecular weight of 267.37 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(3-oxoheptyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 58051575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).