3-(5-methylpyrrolidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane

C11H20N2O — CID 130528585

IUPAC3-(5-methylpyrrolidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCC1CC(N2CC3CCC(C2)O3)CN1
InChIInChI=1S/C11H20N2O/c1-8-4-9(5-12-8)13-6-10-2-3-11(7-13)14-10/h8-12H,2-7H2,1H3
InChIKeyKYDHYSITBVMTBI-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.60
Rot. Bonds1

About 3-(5-methylpyrrolidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane

3-(5-methylpyrrolidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 130528585) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(5-methylpyrrolidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(5-methylpyrrolidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID130528585
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-(5-methylpyrrolidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCC1CC(N2CC3CCC(C2)O3)CN1
InChIInChI=1S/C11H20N2O/c1-8-4-9(5-12-8)13-6-10-2-3-11(7-13)14-10/h8-12H,2-7H2,1H3
InChIKeyKYDHYSITBVMTBI-UHFFFAOYSA-N
XLogP0.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-methylpyrrolidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane 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-(5-methylpyrrolidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(5-methylpyrrolidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane (CID 130528585) is 3-(5-methylpyrrolidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(5-methylpyrrolidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(5-methylpyrrolidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane is CC1CC(N2CC3CCC(C2)O3)CN1.
What is the InChIKey of 3-(5-methylpyrrolidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is KYDHYSITBVMTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8-4-9(5-12-8)13-6-10-2-3-11(7-13)14-10/h8-12H,2-7H2,1H3.
What are the key properties of 3-(5-methylpyrrolidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
3-(5-methylpyrrolidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 196.29 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrrolidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 130528585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).