2-butyl-5-oxa-2-azaspiro[3.4]octane

C10H19NO — CID 176925422

IUPAC2-butyl-5-oxa-2-azaspiro[3.4]octane
SMILESCCCCN1CC2(CCCO2)C1
InChIInChI=1S/C10H19NO/c1-2-3-6-11-8-10(9-11)5-4-7-12-10/h2-9H2,1H3
InChIKeyZIPCLUMVJSIAFN-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.65
Rot. Bonds3

About 2-butyl-5-oxa-2-azaspiro[3.4]octane

2-butyl-5-oxa-2-azaspiro[3.4]octane (PubChem CID 176925422) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-butyl-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-butyl-5-oxa-2-azaspiro[3.4]octane
PubChem CID176925422
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-butyl-5-oxa-2-azaspiro[3.4]octane
SMILESCCCCN1CC2(CCCO2)C1
InChIInChI=1S/C10H19NO/c1-2-3-6-11-8-10(9-11)5-4-7-12-10/h2-9H2,1H3
InChIKeyZIPCLUMVJSIAFN-UHFFFAOYSA-N
XLogP1.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 2-butyl-5-oxa-2-azaspiro[3.4]octane (CID 176925422) is 2-butyl-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 2-butyl-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 2-butyl-5-oxa-2-azaspiro[3.4]octane is CCCCN1CC2(CCCO2)C1.
What is the InChIKey of 2-butyl-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is ZIPCLUMVJSIAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-6-11-8-10(9-11)5-4-7-12-10/h2-9H2,1H3.
What are the key properties of 2-butyl-5-oxa-2-azaspiro[3.4]octane?
2-butyl-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 169.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 176925422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).