3-(oxan-2-ylmethyl)pyrrolidine

C10H19NO — CID 104680485

IUPAC3-(oxan-2-ylmethyl)pyrrolidine
SMILESC1CCC(CC2CCNC2)OC1
InChIInChI=1S/C10H19NO/c1-2-6-12-10(3-1)7-9-4-5-11-8-9/h9-11H,1-8H2
InChIKeyBVYWBIHUQKIPIZ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.56
Rot. Bonds2

About 3-(oxan-2-ylmethyl)pyrrolidine

3-(oxan-2-ylmethyl)pyrrolidine (PubChem CID 104680485) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(oxan-2-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-(oxan-2-ylmethyl)pyrrolidine
PubChem CID104680485
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(oxan-2-ylmethyl)pyrrolidine
SMILESC1CCC(CC2CCNC2)OC1
InChIInChI=1S/C10H19NO/c1-2-6-12-10(3-1)7-9-4-5-11-8-9/h9-11H,1-8H2
InChIKeyBVYWBIHUQKIPIZ-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(oxan-2-ylmethyl)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-2-ylmethyl)pyrrolidine?
The IUPAC name of 3-(oxan-2-ylmethyl)pyrrolidine (CID 104680485) is 3-(oxan-2-ylmethyl)pyrrolidine.
What is the SMILES notation for 3-(oxan-2-ylmethyl)pyrrolidine?
The canonical SMILES for 3-(oxan-2-ylmethyl)pyrrolidine is C1CCC(CC2CCNC2)OC1.
What is the InChIKey of 3-(oxan-2-ylmethyl)pyrrolidine?
The InChIKey is BVYWBIHUQKIPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-6-12-10(3-1)7-9-4-5-11-8-9/h9-11H,1-8H2.
What are the key properties of 3-(oxan-2-ylmethyl)pyrrolidine?
3-(oxan-2-ylmethyl)pyrrolidine has a molecular weight of 169.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-ylmethyl)pyrrolidine is sourced from PubChem (CID 104680485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).