[(2S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol

C14H25NO2 — CID 79919782

IUPAC[(2S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H25NO2/c16-11-13-4-3-8-15(13)12-5-9-17-14(10-12)6-1-2-7-14/h12-13,16H,1-11H2/t12?,13-/m0/s1
InChIKeyCRVIWZHVYQRTBD-ABLWVSNPSA-N
MW239.36 g/mol
LogP1.93
Rot. Bonds2

About [(2S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol

[(2S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol (PubChem CID 79919782) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is [(2S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
PubChem CID79919782
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name[(2S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H25NO2/c16-11-13-4-3-8-15(13)12-5-9-17-14(10-12)6-1-2-7-14/h12-13,16H,1-11H2/t12?,13-/m0/s1
InChIKeyCRVIWZHVYQRTBD-ABLWVSNPSA-N
XLogP1.93
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol (CID 79919782) is [(2S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1C1CCOC2(CCCC2)C1.
What is the InChIKey of [(2S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol?
The InChIKey is CRVIWZHVYQRTBD-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H25NO2/c16-11-13-4-3-8-15(13)12-5-9-17-14(10-12)6-1-2-7-14/h12-13,16H,1-11H2/t12?,13-/m0/s1.
What are the key properties of [(2S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol?
[(2S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol has a molecular weight of 239.36 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 79919782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).