1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine

C16H28N2O2 — CID 102681507

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESC1CC2CNCC2N(C2CCOC3(CCOCC3)C2)C1
InChIInChI=1S/C16H28N2O2/c1-2-13-11-17-12-15(13)18(6-1)14-3-7-20-16(10-14)4-8-19-9-5-16/h13-15,17H,1-12H2
InChIKeyLFIRGAWESWUAQC-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.40
Rot. Bonds1

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine (PubChem CID 102681507) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
PubChem CID102681507
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESC1CC2CNCC2N(C2CCOC3(CCOCC3)C2)C1
InChIInChI=1S/C16H28N2O2/c1-2-13-11-17-12-15(13)18(6-1)14-3-7-20-16(10-14)4-8-19-9-5-16/h13-15,17H,1-12H2
InChIKeyLFIRGAWESWUAQC-UHFFFAOYSA-N
XLogP1.40
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine with MolForge

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Related Compounds

1-(oxepan-4-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102677910
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
CID 79920343
(4aR,7aR)-1-cyclopropyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 131002494
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpiperazine
CID 79901478
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-2-ylpyrrolidine
CID 79901180
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanol
CID 79920339
methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate
CID 79919392
5-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 79898828
[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 79919993
[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanamine
CID 79919949
4-methyl-5-(6-oxaspiro[4.5]decan-9-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 79899136
1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carbothioamide
CID 79905951

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine (CID 102681507) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine is C1CC2CNCC2N(C2CCOC3(CCOCC3)C2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The InChIKey is LFIRGAWESWUAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-13-11-17-12-15(13)18(6-1)14-3-7-20-16(10-14)4-8-19-9-5-16/h13-15,17H,1-12H2.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine has a molecular weight of 280.41 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 102681507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).