[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol

C13H23NO3 — CID 79919993

IUPAC[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H23NO3/c15-9-12-2-1-5-14(12)11-3-6-17-13(8-11)4-7-16-10-13/h11-12,15H,1-10H2
InChIKeySGGSUFVEUAUVIM-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.78
Rot. Bonds2

About [1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol

[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol (PubChem CID 79919993) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is [1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
PubChem CID79919993
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H23NO3/c15-9-12-2-1-5-14(12)11-3-6-17-13(8-11)4-7-16-10-13/h11-12,15H,1-10H2
InChIKeySGGSUFVEUAUVIM-UHFFFAOYSA-N
XLogP0.78
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
CID 79920343
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanol
CID 79920339
[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanamine
CID 79919949
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
CID 79920119
1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 115316834
[1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol
CID 116637254
[(2S)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 79919781
[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]methanol
CID 79919762
[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-2-yl]methanol
CID 79919988
3-[1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-1-ol
CID 79919663
3-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 79919417
1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile
CID 79903946

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol (CID 79919993) is [1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol is OCC1CCCN1C1CCOC2(CCOC2)C1.
What is the InChIKey of [1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol?
The InChIKey is SGGSUFVEUAUVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c15-9-12-2-1-5-14(12)11-3-6-17-13(8-11)4-7-16-10-13/h11-12,15H,1-10H2.
What are the key properties of [1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol?
[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol has a molecular weight of 241.33 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 79919993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).