(4aS,7aS)-6-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine

C15H26N2O2 — CID 102682765

IUPAC(4aS,7aS)-6-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESC1CN[C@@H]2CN(C3CCOC4(CCOC4)C3)C[C@@H]2C1
InChIInChI=1S/C15H26N2O2/c1-2-12-9-17(10-14(12)16-5-1)13-3-6-19-15(8-13)4-7-18-11-15/h12-14,16H,1-11H2/t12-,13?,14+,15?/m0/s1
InChIKeyPBOBBUNUXMJEKU-FGZQJIAISA-N
MW266.38 g/mol
LogP1.01
Rot. Bonds1

About (4aS,7aS)-6-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine

(4aS,7aS)-6-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine (PubChem CID 102682765) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (4aS,7aS)-6-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name(4aS,7aS)-6-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
PubChem CID102682765
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(4aS,7aS)-6-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESC1CN[C@@H]2CN(C3CCOC4(CCOC4)C3)C[C@@H]2C1
InChIInChI=1S/C15H26N2O2/c1-2-12-9-17(10-14(12)16-5-1)13-3-6-19-15(8-13)4-7-18-11-15/h12-14,16H,1-11H2/t12-,13?,14+,15?/m0/s1
InChIKeyPBOBBUNUXMJEKU-FGZQJIAISA-N
XLogP1.01
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4aS,7aS)-6-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine with MolForge

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Related Compounds

(4aS,7aS)-6-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682694
6-(2-ethyl-2-methyloxan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678334
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-2-ylpyrrolidine
CID 79901180
6-(oxolan-3-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678402
6-cyclobutyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678458
(3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine
CID 115302425
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpyrrolidin-3-amine
CID 115300476
2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid
CID 79893611
1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-ol
CID 79920646
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylazetidin-3-ol
CID 79919999
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 79894208
[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]methanol
CID 79919762

Frequently Asked Questions

What is the IUPAC name of (4aS,7aS)-6-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The IUPAC name of (4aS,7aS)-6-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine (CID 102682765) is (4aS,7aS)-6-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for (4aS,7aS)-6-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The canonical SMILES for (4aS,7aS)-6-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine is C1CN[C@@H]2CN(C3CCOC4(CCOC4)C3)C[C@@H]2C1.
What is the InChIKey of (4aS,7aS)-6-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The InChIKey is PBOBBUNUXMJEKU-FGZQJIAISA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-12-9-17(10-14(12)16-5-1)13-3-6-19-15(8-13)4-7-18-11-15/h12-14,16H,1-11H2/t12-,13?,14+,15?/m0/s1.
What are the key properties of (4aS,7aS)-6-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
(4aS,7aS)-6-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine has a molecular weight of 266.38 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7aS)-6-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 102682765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).