1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C8H14N2O2 — CID 13059434

IUPAC1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCNCC2)CN1
InChIInChI=1S/C8H14N2O2/c11-7-5-12-8(6-10-7)1-3-9-4-2-8/h9H,1-6H2,(H,10,11)
InChIKeyUZILMRSSGKFWTO-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.75
Rot. Bonds

About 1-oxa-4,9-diazaspiro[5.5]undecan-3-one

1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 13059434) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID13059434
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCNCC2)CN1
InChIInChI=1S/C8H14N2O2/c11-7-5-12-8(6-10-7)1-3-9-4-2-8/h9H,1-6H2,(H,10,11)
InChIKeyUZILMRSSGKFWTO-UHFFFAOYSA-N
XLogP-0.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 13059434) is 1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCNCC2)CN1.
What is the InChIKey of 1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is UZILMRSSGKFWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c11-7-5-12-8(6-10-7)1-3-9-4-2-8/h9H,1-6H2,(H,10,11).
What are the key properties of 1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 170.21 g/mol, XLogP of -0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 13059434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).