1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-ol

C14H25NO2 — CID 102848137

IUPAC1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-ol
SMILESOC1CCN(CC2CCC3(CCCCC3)O2)C1
InChIInChI=1S/C14H25NO2/c16-12-5-9-15(10-12)11-13-4-8-14(17-13)6-2-1-3-7-14/h12-13,16H,1-11H2
InChIKeyATOMZJSFTZETHS-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.93
Rot. Bonds2

About 1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-ol

1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-ol (PubChem CID 102848137) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-ol
PubChem CID102848137
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-ol
SMILESOC1CCN(CC2CCC3(CCCCC3)O2)C1
InChIInChI=1S/C14H25NO2/c16-12-5-9-15(10-12)11-13-4-8-14(17-13)6-2-1-3-7-14/h12-13,16H,1-11H2
InChIKeyATOMZJSFTZETHS-UHFFFAOYSA-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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Related Compounds

1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-ol
CID 102900018
3-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine
CID 102900770
2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]acetic acid
CID 102899235
2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 102901027
1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylic acid
CID 102899119
3-methylsulfanyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)azepane
CID 86818442
1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide
CID 102898330
5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 102848065
(3R)-1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide
CID 124862340
N-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 124862277
4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbothioamide
CID 102898079
2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-yl]ethanamine
CID 102899408

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-ol (CID 102848137) is 1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-ol is OC1CCN(CC2CCC3(CCCCC3)O2)C1.
What is the InChIKey of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-ol?
The InChIKey is ATOMZJSFTZETHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c16-12-5-9-15(10-12)11-13-4-8-14(17-13)6-2-1-3-7-14/h12-13,16H,1-11H2.
What are the key properties of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-ol?
1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-ol 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 1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 102848137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).