3-(pyrrolidin-1-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane

C12H22N2O — CID 165448349

IUPAC3-(pyrrolidin-1-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane
SMILESC1CCN(CC2CC3(CCNC3)CO2)C1
InChIInChI=1S/C12H22N2O/c1-2-6-14(5-1)8-11-7-12(10-15-11)3-4-13-9-12/h11,13H,1-10H2
InChIKeyROXNQANPLKVMLH-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.85
Rot. Bonds2

About 3-(pyrrolidin-1-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane

3-(pyrrolidin-1-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 165448349) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(pyrrolidin-1-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name3-(pyrrolidin-1-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane
PubChem CID165448349
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-(pyrrolidin-1-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane
SMILESC1CCN(CC2CC3(CCNC3)CO2)C1
InChIInChI=1S/C12H22N2O/c1-2-6-14(5-1)8-11-7-12(10-15-11)3-4-13-9-12/h11,13H,1-10H2
InChIKeyROXNQANPLKVMLH-UHFFFAOYSA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-1-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 3-(pyrrolidin-1-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane (CID 165448349) is 3-(pyrrolidin-1-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 3-(pyrrolidin-1-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 3-(pyrrolidin-1-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane is C1CCN(CC2CC3(CCNC3)CO2)C1.
What is the InChIKey of 3-(pyrrolidin-1-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is ROXNQANPLKVMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-6-14(5-1)8-11-7-12(10-15-11)3-4-13-9-12/h11,13H,1-10H2.
What are the key properties of 3-(pyrrolidin-1-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane?
3-(pyrrolidin-1-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 210.32 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-1-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 165448349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).