3-[(2S)-oxan-2-yl]oxypyrrolidine

C9H17NO2 — CID 56972048

IUPAC3-[(2S)-oxan-2-yl]oxypyrrolidine
SMILESC1CC[C@H](OC2CCNC2)OC1
InChIInChI=1S/C9H17NO2/c1-2-6-11-9(3-1)12-8-4-5-10-7-8/h8-10H,1-7H2/t8?,9-/m0/s1
InChIKeyJCZDMBKPCOKANB-GKAPJAKFSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds2

About 3-[(2S)-oxan-2-yl]oxypyrrolidine

3-[(2S)-oxan-2-yl]oxypyrrolidine (PubChem CID 56972048) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-[(2S)-oxan-2-yl]oxypyrrolidine.

Molecular Properties

Compound Name3-[(2S)-oxan-2-yl]oxypyrrolidine
PubChem CID56972048
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-[(2S)-oxan-2-yl]oxypyrrolidine
SMILESC1CC[C@H](OC2CCNC2)OC1
InChIInChI=1S/C9H17NO2/c1-2-6-11-9(3-1)12-8-4-5-10-7-8/h8-10H,1-7H2/t8?,9-/m0/s1
InChIKeyJCZDMBKPCOKANB-GKAPJAKFSA-N
XLogP0.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-oxan-2-yl]oxypyrrolidine?
The IUPAC name of 3-[(2S)-oxan-2-yl]oxypyrrolidine (CID 56972048) is 3-[(2S)-oxan-2-yl]oxypyrrolidine.
What is the SMILES notation for 3-[(2S)-oxan-2-yl]oxypyrrolidine?
The canonical SMILES for 3-[(2S)-oxan-2-yl]oxypyrrolidine is C1CC[C@H](OC2CCNC2)OC1.
What is the InChIKey of 3-[(2S)-oxan-2-yl]oxypyrrolidine?
The InChIKey is JCZDMBKPCOKANB-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-6-11-9(3-1)12-8-4-5-10-7-8/h8-10H,1-7H2/t8?,9-/m0/s1.
What are the key properties of 3-[(2S)-oxan-2-yl]oxypyrrolidine?
3-[(2S)-oxan-2-yl]oxypyrrolidine has a molecular weight of 171.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-oxan-2-yl]oxypyrrolidine is sourced from PubChem (CID 56972048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).