1,6-ditert-butyl-3,3a,4,7a-tetrahydropyrrolo[2,3-c]pyridine-2,5,7-trione

C15H24N2O3 — CID 59067677

IUPAC1,6-ditert-butyl-3,3a,4,7a-tetrahydropyrrolo[2,3-c]pyridine-2,5,7-trione
SMILESCC(C)(C)N1C(=O)CC2CC(=O)N(C(C)(C)C)C2C1=O
InChIInChI=1S/C15H24N2O3/c1-14(2,3)16-10(18)7-9-8-11(19)17(15(4,5)6)13(20)12(9)16/h9,12H,7-8H2,1-6H3
InChIKeyDWULUQMHQUIPDR-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.56
Rot. Bonds

About 1,6-ditert-butyl-3,3a,4,7a-tetrahydropyrrolo[2,3-c]pyridine-2,5,7-trione

1,6-ditert-butyl-3,3a,4,7a-tetrahydropyrrolo[2,3-c]pyridine-2,5,7-trione (PubChem CID 59067677) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1,6-ditert-butyl-3,3a,4,7a-tetrahydropyrrolo[2,3-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name1,6-ditert-butyl-3,3a,4,7a-tetrahydropyrrolo[2,3-c]pyridine-2,5,7-trione
PubChem CID59067677
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1,6-ditert-butyl-3,3a,4,7a-tetrahydropyrrolo[2,3-c]pyridine-2,5,7-trione
SMILESCC(C)(C)N1C(=O)CC2CC(=O)N(C(C)(C)C)C2C1=O
InChIInChI=1S/C15H24N2O3/c1-14(2,3)16-10(18)7-9-8-11(19)17(15(4,5)6)13(20)12(9)16/h9,12H,7-8H2,1-6H3
InChIKeyDWULUQMHQUIPDR-UHFFFAOYSA-N
XLogP1.56
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,6-ditert-butyl-3,3a,4,7a-tetrahydropyrrolo[2,3-c]pyridine-2,5,7-trione?
The IUPAC name of 1,6-ditert-butyl-3,3a,4,7a-tetrahydropyrrolo[2,3-c]pyridine-2,5,7-trione (CID 59067677) is 1,6-ditert-butyl-3,3a,4,7a-tetrahydropyrrolo[2,3-c]pyridine-2,5,7-trione.
What is the SMILES notation for 1,6-ditert-butyl-3,3a,4,7a-tetrahydropyrrolo[2,3-c]pyridine-2,5,7-trione?
The canonical SMILES for 1,6-ditert-butyl-3,3a,4,7a-tetrahydropyrrolo[2,3-c]pyridine-2,5,7-trione is CC(C)(C)N1C(=O)CC2CC(=O)N(C(C)(C)C)C2C1=O.
What is the InChIKey of 1,6-ditert-butyl-3,3a,4,7a-tetrahydropyrrolo[2,3-c]pyridine-2,5,7-trione?
The InChIKey is DWULUQMHQUIPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-14(2,3)16-10(18)7-9-8-11(19)17(15(4,5)6)13(20)12(9)16/h9,12H,7-8H2,1-6H3.
What are the key properties of 1,6-ditert-butyl-3,3a,4,7a-tetrahydropyrrolo[2,3-c]pyridine-2,5,7-trione?
1,6-ditert-butyl-3,3a,4,7a-tetrahydropyrrolo[2,3-c]pyridine-2,5,7-trione has a molecular weight of 280.37 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-ditert-butyl-3,3a,4,7a-tetrahydropyrrolo[2,3-c]pyridine-2,5,7-trione is sourced from PubChem (CID 59067677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).