[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol

C15H27NO2 — CID 79920119

IUPAC[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H27NO2/c17-12-14-5-4-9-16(14)13-6-10-18-15(11-13)7-2-1-3-8-15/h13-14,17H,1-12H2
InChIKeyATOAATPHAWYYAV-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.33
Rot. Bonds2

About [1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol

[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 79920119) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is [1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
PubChem CID79920119
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H27NO2/c17-12-14-5-4-9-16(14)13-6-10-18-15(11-13)7-2-1-3-8-15/h13-14,17H,1-12H2
InChIKeyATOAATPHAWYYAV-UHFFFAOYSA-N
XLogP2.33
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol
CID 116637254
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
CID 79920343
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)pyrrolidin-2-yl]methanol
CID 79919993
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanol
CID 79920339
3-[1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-1-ol
CID 79919663
1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-2-ol
CID 114338570
[(2S)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 79919781
[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-2-yl]methanol
CID 79919988
[3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 102787849
2-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]ethanamine
CID 79902510
3-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]propanoic acid
CID 79894201

Frequently Asked Questions

What is the IUPAC name of [1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol (CID 79920119) is [1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol is OCC1CCCN1C1CCOC2(CCCCC2)C1.
What is the InChIKey of [1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is ATOAATPHAWYYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c17-12-14-5-4-9-16(14)13-6-10-18-15(11-13)7-2-1-3-8-15/h13-14,17H,1-12H2.
What are the key properties of [1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol?
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 253.39 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 79920119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).