9-propyl-1-oxa-4-azaspiro[5.5]undecane

C12H23NO — CID 62110596

IUPAC9-propyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCCCC1CCC2(CC1)CNCCO2
InChIInChI=1S/C12H23NO/c1-2-3-11-4-6-12(7-5-11)10-13-8-9-14-12/h11,13H,2-10H2,1H3
InChIKeyQPEISARADSDJIR-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.34
Rot. Bonds2

About 9-propyl-1-oxa-4-azaspiro[5.5]undecane

9-propyl-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 62110596) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 9-propyl-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-propyl-1-oxa-4-azaspiro[5.5]undecane
PubChem CID62110596
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name9-propyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCCCC1CCC2(CC1)CNCCO2
InChIInChI=1S/C12H23NO/c1-2-3-11-4-6-12(7-5-11)10-13-8-9-14-12/h11,13H,2-10H2,1H3
InChIKeyQPEISARADSDJIR-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-propyl-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 9-propyl-1-oxa-4-azaspiro[5.5]undecane (CID 62110596) is 9-propyl-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 9-propyl-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 9-propyl-1-oxa-4-azaspiro[5.5]undecane is CCCC1CCC2(CC1)CNCCO2.
What is the InChIKey of 9-propyl-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is QPEISARADSDJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-11-4-6-12(7-5-11)10-13-8-9-14-12/h11,13H,2-10H2,1H3.
What are the key properties of 9-propyl-1-oxa-4-azaspiro[5.5]undecane?
9-propyl-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 197.32 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propyl-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 62110596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).