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

C8H14N2O2 — CID 22386728

IUPAC2-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1NCC2(CCNCC2)CO1
InChIInChI=1S/C8H14N2O2/c11-7-10-5-8(6-12-7)1-3-9-4-2-8/h9H,1-6H2,(H,10,11)
InChIKeyXVXPJWQOGLUUBF-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.10
Rot. Bonds

About 2-oxa-4,9-diazaspiro[5.5]undecan-3-one

2-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 22386728) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID22386728
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1NCC2(CCNCC2)CO1
InChIInChI=1S/C8H14N2O2/c11-7-10-5-8(6-12-7)1-3-9-4-2-8/h9H,1-6H2,(H,10,11)
InChIKeyXVXPJWQOGLUUBF-UHFFFAOYSA-N
XLogP0.10
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 ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 22386728) is 2-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1NCC2(CCNCC2)CO1.
What is the InChIKey of 2-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is XVXPJWQOGLUUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c11-7-10-5-8(6-12-7)1-3-9-4-2-8/h9H,1-6H2,(H,10,11).
What are the key properties of 2-oxa-4,9-diazaspiro[5.5]undecan-3-one?
2-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 170.21 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 22386728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).