3-(oxan-4-yl)pyrrolidine

C9H17NO — CID 62390563

IUPAC3-(oxan-4-yl)pyrrolidine
SMILESC1CC(C2CCOCC2)CN1
InChIInChI=1S/C9H17NO/c1-4-10-7-9(1)8-2-5-11-6-3-8/h8-10H,1-7H2
InChIKeyLTIBHODBZZLTHJ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds1

About 3-(oxan-4-yl)pyrrolidine

3-(oxan-4-yl)pyrrolidine (PubChem CID 62390563) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-(oxan-4-yl)pyrrolidine.

Molecular Properties

Compound Name3-(oxan-4-yl)pyrrolidine
PubChem CID62390563
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-(oxan-4-yl)pyrrolidine
SMILESC1CC(C2CCOCC2)CN1
InChIInChI=1S/C9H17NO/c1-4-10-7-9(1)8-2-5-11-6-3-8/h8-10H,1-7H2
InChIKeyLTIBHODBZZLTHJ-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(oxan-4-yl)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-yl)pyrrolidine?
The IUPAC name of 3-(oxan-4-yl)pyrrolidine (CID 62390563) is 3-(oxan-4-yl)pyrrolidine.
What is the SMILES notation for 3-(oxan-4-yl)pyrrolidine?
The canonical SMILES for 3-(oxan-4-yl)pyrrolidine is C1CC(C2CCOCC2)CN1.
What is the InChIKey of 3-(oxan-4-yl)pyrrolidine?
The InChIKey is LTIBHODBZZLTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-10-7-9(1)8-2-5-11-6-3-8/h8-10H,1-7H2.
What are the key properties of 3-(oxan-4-yl)pyrrolidine?
3-(oxan-4-yl)pyrrolidine has a molecular weight of 155.24 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)pyrrolidine is sourced from PubChem (CID 62390563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).