3-oxa-1,7-diazaspiro[4.4]nonan-2-one

C6H10N2O2 — CID 71669039

IUPAC3-oxa-1,7-diazaspiro[4.4]nonan-2-one
SMILESO=C1NC2(CCNC2)CO1
InChIInChI=1S/C6H10N2O2/c9-5-8-6(4-10-5)1-2-7-3-6/h7H,1-4H2,(H,8,9)
InChIKeyKGMHCFJLIMETNO-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.54
Rot. Bonds

About 3-oxa-1,7-diazaspiro[4.4]nonan-2-one

3-oxa-1,7-diazaspiro[4.4]nonan-2-one (PubChem CID 71669039) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 3-oxa-1,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name3-oxa-1,7-diazaspiro[4.4]nonan-2-one
PubChem CID71669039
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name3-oxa-1,7-diazaspiro[4.4]nonan-2-one
SMILESO=C1NC2(CCNC2)CO1
InChIInChI=1S/C6H10N2O2/c9-5-8-6(4-10-5)1-2-7-3-6/h7H,1-4H2,(H,8,9)
InChIKeyKGMHCFJLIMETNO-UHFFFAOYSA-N
XLogP-0.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 3-oxa-1,7-diazaspiro[4.4]nonan-2-one (CID 71669039) is 3-oxa-1,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 3-oxa-1,7-diazaspiro[4.4]nonan-2-one is O=C1NC2(CCNC2)CO1.
What is the InChIKey of 3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is KGMHCFJLIMETNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c9-5-8-6(4-10-5)1-2-7-3-6/h7H,1-4H2,(H,8,9).
What are the key properties of 3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
3-oxa-1,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 142.16 g/mol, XLogP of -0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-1,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 71669039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).