(3S)-3-(oxan-2-yloxy)pyrrolidine

C9H17NO2 — CID 20640589

IUPAC(3S)-3-(oxan-2-yloxy)pyrrolidine
SMILESC1CCC(O[C@H]2CCNC2)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-IENPIDJESA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds2

About (3S)-3-(oxan-2-yloxy)pyrrolidine

(3S)-3-(oxan-2-yloxy)pyrrolidine (PubChem CID 20640589) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (3S)-3-(oxan-2-yloxy)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(oxan-2-yloxy)pyrrolidine
PubChem CID20640589
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(3S)-3-(oxan-2-yloxy)pyrrolidine
SMILESC1CCC(O[C@H]2CCNC2)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-IENPIDJESA-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 (3S)-3-(oxan-2-yloxy)pyrrolidine?
The IUPAC name of (3S)-3-(oxan-2-yloxy)pyrrolidine (CID 20640589) is (3S)-3-(oxan-2-yloxy)pyrrolidine.
What is the SMILES notation for (3S)-3-(oxan-2-yloxy)pyrrolidine?
The canonical SMILES for (3S)-3-(oxan-2-yloxy)pyrrolidine is C1CCC(O[C@H]2CCNC2)OC1.
What is the InChIKey of (3S)-3-(oxan-2-yloxy)pyrrolidine?
The InChIKey is JCZDMBKPCOKANB-IENPIDJESA-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 (3S)-3-(oxan-2-yloxy)pyrrolidine?
(3S)-3-(oxan-2-yloxy)pyrrolidine 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 (3S)-3-(oxan-2-yloxy)pyrrolidine is sourced from PubChem (CID 20640589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).