3-(pyrrolidin-1-ylmethyl)oxan-3-ol

C10H19NO2 — CID 84732714

IUPAC3-(pyrrolidin-1-ylmethyl)oxan-3-ol
SMILESOC1(CN2CCCC2)CCCOC1
InChIInChI=1S/C10H19NO2/c12-10(4-3-7-13-9-10)8-11-5-1-2-6-11/h12H,1-9H2
InChIKeyWEVBUCWFLUQPME-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.62
Rot. Bonds2

About 3-(pyrrolidin-1-ylmethyl)oxan-3-ol

3-(pyrrolidin-1-ylmethyl)oxan-3-ol (PubChem CID 84732714) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(pyrrolidin-1-ylmethyl)oxan-3-ol.

Molecular Properties

Compound Name3-(pyrrolidin-1-ylmethyl)oxan-3-ol
PubChem CID84732714
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-(pyrrolidin-1-ylmethyl)oxan-3-ol
SMILESOC1(CN2CCCC2)CCCOC1
InChIInChI=1S/C10H19NO2/c12-10(4-3-7-13-9-10)8-11-5-1-2-6-11/h12H,1-9H2
InChIKeyWEVBUCWFLUQPME-UHFFFAOYSA-N
XLogP0.62
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-1-ylmethyl)oxan-3-ol?
The IUPAC name of 3-(pyrrolidin-1-ylmethyl)oxan-3-ol (CID 84732714) is 3-(pyrrolidin-1-ylmethyl)oxan-3-ol.
What is the SMILES notation for 3-(pyrrolidin-1-ylmethyl)oxan-3-ol?
The canonical SMILES for 3-(pyrrolidin-1-ylmethyl)oxan-3-ol is OC1(CN2CCCC2)CCCOC1.
What is the InChIKey of 3-(pyrrolidin-1-ylmethyl)oxan-3-ol?
The InChIKey is WEVBUCWFLUQPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c12-10(4-3-7-13-9-10)8-11-5-1-2-6-11/h12H,1-9H2.
What are the key properties of 3-(pyrrolidin-1-ylmethyl)oxan-3-ol?
3-(pyrrolidin-1-ylmethyl)oxan-3-ol has a molecular weight of 185.27 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-1-ylmethyl)oxan-3-ol is sourced from PubChem (CID 84732714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).