6,9-dioxa-2-azaspiro[4.5]decane

C7H13NO2 — CID 54007830

IUPAC6,9-dioxa-2-azaspiro[4.5]decane
SMILESC1CC2(CN1)COCCO2
InChIInChI=1S/C7H13NO2/c1-2-8-5-7(1)6-9-3-4-10-7/h8H,1-6H2
InChIKeyKQDJCXPSLKEESD-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.23
Rot. Bonds

About 6,9-dioxa-2-azaspiro[4.5]decane

6,9-dioxa-2-azaspiro[4.5]decane (PubChem CID 54007830) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 6,9-dioxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name6,9-dioxa-2-azaspiro[4.5]decane
PubChem CID54007830
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name6,9-dioxa-2-azaspiro[4.5]decane
SMILESC1CC2(CN1)COCCO2
InChIInChI=1S/C7H13NO2/c1-2-8-5-7(1)6-9-3-4-10-7/h8H,1-6H2
InChIKeyKQDJCXPSLKEESD-UHFFFAOYSA-N
XLogP-0.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,9-dioxa-2-azaspiro[4.5]decane?
The IUPAC name of 6,9-dioxa-2-azaspiro[4.5]decane (CID 54007830) is 6,9-dioxa-2-azaspiro[4.5]decane.
What is the SMILES notation for 6,9-dioxa-2-azaspiro[4.5]decane?
The canonical SMILES for 6,9-dioxa-2-azaspiro[4.5]decane is C1CC2(CN1)COCCO2.
What is the InChIKey of 6,9-dioxa-2-azaspiro[4.5]decane?
The InChIKey is KQDJCXPSLKEESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-8-5-7(1)6-9-3-4-10-7/h8H,1-6H2.
What are the key properties of 6,9-dioxa-2-azaspiro[4.5]decane?
6,9-dioxa-2-azaspiro[4.5]decane has a molecular weight of 143.19 g/mol, XLogP of -0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dioxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 54007830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).