3-(oxan-4-yloxy)pyrrolidine

C9H17NO2 — CID 62328457

IUPAC3-(oxan-4-yloxy)pyrrolidine
SMILESC1CC(OC2CCOCC2)CN1
InChIInChI=1S/C9H17NO2/c1-4-10-7-9(1)12-8-2-5-11-6-3-8/h8-10H,1-7H2
InChIKeyFQMACVOLTJCARN-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.54
Rot. Bonds2

About 3-(oxan-4-yloxy)pyrrolidine

3-(oxan-4-yloxy)pyrrolidine (PubChem CID 62328457) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(oxan-4-yloxy)pyrrolidine.

Molecular Properties

Compound Name3-(oxan-4-yloxy)pyrrolidine
PubChem CID62328457
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-(oxan-4-yloxy)pyrrolidine
SMILESC1CC(OC2CCOCC2)CN1
InChIInChI=1S/C9H17NO2/c1-4-10-7-9(1)12-8-2-5-11-6-3-8/h8-10H,1-7H2
InChIKeyFQMACVOLTJCARN-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(oxan-4-yloxy)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yloxy)pyrrolidine?
The IUPAC name of 3-(oxan-4-yloxy)pyrrolidine (CID 62328457) is 3-(oxan-4-yloxy)pyrrolidine.
What is the SMILES notation for 3-(oxan-4-yloxy)pyrrolidine?
The canonical SMILES for 3-(oxan-4-yloxy)pyrrolidine is C1CC(OC2CCOCC2)CN1.
What is the InChIKey of 3-(oxan-4-yloxy)pyrrolidine?
The InChIKey is FQMACVOLTJCARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-10-7-9(1)12-8-2-5-11-6-3-8/h8-10H,1-7H2.
What are the key properties of 3-(oxan-4-yloxy)pyrrolidine?
3-(oxan-4-yloxy)pyrrolidine has a molecular weight of 171.24 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yloxy)pyrrolidine is sourced from PubChem (CID 62328457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).