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

C17H31NO2 — CID 102848080

IUPAC3-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H31NO2/c19-13-5-7-15-6-4-12-18(15)14-16-8-11-17(20-16)9-2-1-3-10-17/h15-16,19H,1-14H2
InChIKeyJJITZLKGKGZNAM-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.11
Rot. Bonds5

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

3-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 102848080) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID102848080
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name3-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H31NO2/c19-13-5-7-15-6-4-12-18(15)14-16-8-11-17(20-16)9-2-1-3-10-17/h15-16,19H,1-14H2
InChIKeyJJITZLKGKGZNAM-UHFFFAOYSA-N
XLogP3.11
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol (CID 102848080) is 3-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1CC1CCC2(CCCCC2)O1.
What is the InChIKey of 3-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is JJITZLKGKGZNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c19-13-5-7-15-6-4-12-18(15)14-16-8-11-17(20-16)9-2-1-3-10-17/h15-16,19H,1-14H2.
What are the key properties of 3-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 281.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 102848080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).