[1-(1-oxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol

C13H23NO2 — CID 165469741

IUPAC[1-(1-oxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(C2CCOC23CCCC3)C1
InChIInChI=1S/C13H23NO2/c15-10-11-3-7-14(9-11)12-4-8-16-13(12)5-1-2-6-13/h11-12,15H,1-10H2
InChIKeyCEGMFQVYFACXNO-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.40
Rot. Bonds2

About [1-(1-oxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol

[1-(1-oxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol (PubChem CID 165469741) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is [1-(1-oxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(1-oxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol
PubChem CID165469741
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name[1-(1-oxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(C2CCOC23CCCC3)C1
InChIInChI=1S/C13H23NO2/c15-10-11-3-7-14(9-11)12-4-8-16-13(12)5-1-2-6-13/h11-12,15H,1-10H2
InChIKeyCEGMFQVYFACXNO-UHFFFAOYSA-N
XLogP1.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1,7-dioxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol
CID 165488460
spiro[4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazine-1,1'-cyclopentane]
CID 45098810
[1-(2,2-diethyloxan-4-yl)pyrrolidin-3-yl]methanol
CID 83040396
benzene;1-(1-oxaspiro[3.5]nonan-5-yl)piperidine
CID 156803348
2-[4-(1,7-dioxaspiro[4.4]nonan-4-yl)piperazin-1-yl]ethanol
CID 165488455
[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methanol
CID 114623860
[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]methanol
CID 79919762
[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 112628015
[1-(thiolan-3-yl)pyrrolidin-3-yl]methanol
CID 103892734
[1-(3-aminocyclohexyl)pyrrolidin-3-yl]methanol
CID 112629420
[1-[[1-(hydroxymethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 112629225
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine
CID 79902247

Frequently Asked Questions

What is the IUPAC name of [1-(1-oxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(1-oxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol (CID 165469741) is [1-(1-oxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(1-oxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(1-oxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol is OCC1CCN(C2CCOC23CCCC3)C1.
What is the InChIKey of [1-(1-oxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol?
The InChIKey is CEGMFQVYFACXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-10-11-3-7-14(9-11)12-4-8-16-13(12)5-1-2-6-13/h11-12,15H,1-10H2.
What are the key properties of [1-(1-oxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol?
[1-(1-oxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol has a molecular weight of 225.33 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-oxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 165469741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).