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

C15H27NO2 — CID 79919669

IUPAC[(2S)-1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1C1CCOC2(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/t13?,14-/m0/s1
InChIKeyATOAATPHAWYYAV-KZUDCZAMSA-N
MW253.39 g/mol
LogP2.33
Rot. Bonds2

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

[(2S)-1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 79919669) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is [(2S)-1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
PubChem CID79919669
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name[(2S)-1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1C1CCOC2(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/t13?,14-/m0/s1
InChIKeyATOAATPHAWYYAV-KZUDCZAMSA-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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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol (CID 79919669) is [(2S)-1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1C1CCOC2(CCCCC2)C1.
What is the InChIKey of [(2S)-1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is ATOAATPHAWYYAV-KZUDCZAMSA-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/t13?,14-/m0/s1.
What are the key properties of [(2S)-1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol?
[(2S)-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 [(2S)-1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 79919669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).