7-oxa-1-azaspiro[4.4]nonan-3-one

C7H11NO2 — CID 115011406

IUPAC7-oxa-1-azaspiro[4.4]nonan-3-one
SMILESO=C1CNC2(CCOC2)C1
InChIInChI=1S/C7H11NO2/c9-6-3-7(8-4-6)1-2-10-5-7/h8H,1-5H2
InChIKeyKHIJYKFHAYTXSZ-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.29
Rot. Bonds

About 7-oxa-1-azaspiro[4.4]nonan-3-one

7-oxa-1-azaspiro[4.4]nonan-3-one (PubChem CID 115011406) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 7-oxa-1-azaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7-oxa-1-azaspiro[4.4]nonan-3-one
PubChem CID115011406
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name7-oxa-1-azaspiro[4.4]nonan-3-one
SMILESO=C1CNC2(CCOC2)C1
InChIInChI=1S/C7H11NO2/c9-6-3-7(8-4-6)1-2-10-5-7/h8H,1-5H2
InChIKeyKHIJYKFHAYTXSZ-UHFFFAOYSA-N
XLogP-0.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-oxa-1-azaspiro[4.4]nonan-3-one?
The IUPAC name of 7-oxa-1-azaspiro[4.4]nonan-3-one (CID 115011406) is 7-oxa-1-azaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7-oxa-1-azaspiro[4.4]nonan-3-one?
The canonical SMILES for 7-oxa-1-azaspiro[4.4]nonan-3-one is O=C1CNC2(CCOC2)C1.
What is the InChIKey of 7-oxa-1-azaspiro[4.4]nonan-3-one?
The InChIKey is KHIJYKFHAYTXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-6-3-7(8-4-6)1-2-10-5-7/h8H,1-5H2.
What are the key properties of 7-oxa-1-azaspiro[4.4]nonan-3-one?
7-oxa-1-azaspiro[4.4]nonan-3-one has a molecular weight of 141.17 g/mol, XLogP of -0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxa-1-azaspiro[4.4]nonan-3-one is sourced from PubChem (CID 115011406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).