[(2S)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]methanol

C14H25NO2 — CID 102900056

IUPAC[(2S)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C14H25NO2/c16-11-12-4-3-9-15(12)10-13-5-8-14(17-13)6-1-2-7-14/h12-13,16H,1-11H2/t12-,13?/m0/s1
InChIKeyFFHPOFBLLVRJGW-UEWDXFNNSA-N
MW239.36 g/mol
LogP1.93
Rot. Bonds3

About [(2S)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]methanol

[(2S)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]methanol (PubChem CID 102900056) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is [(2S)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]methanol
PubChem CID102900056
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name[(2S)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C14H25NO2/c16-11-12-4-3-9-15(12)10-13-5-8-14(17-13)6-1-2-7-14/h12-13,16H,1-11H2/t12-,13?/m0/s1
InChIKeyFFHPOFBLLVRJGW-UEWDXFNNSA-N
XLogP1.93
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]methanol (CID 102900056) is [(2S)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1CC1CCC2(CCCC2)O1.
What is the InChIKey of [(2S)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]methanol?
The InChIKey is FFHPOFBLLVRJGW-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H25NO2/c16-11-12-4-3-9-15(12)10-13-5-8-14(17-13)6-1-2-7-14/h12-13,16H,1-11H2/t12-,13?/m0/s1.
What are the key properties of [(2S)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]methanol?
[(2S)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]methanol has a molecular weight of 239.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102900056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).