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

C8H14N2O2 — CID 82412456

IUPAC9-oxa-1,4-diazaspiro[5.5]undecan-3-one
SMILESO=C1CNC2(CCOCC2)CN1
InChIInChI=1S/C8H14N2O2/c11-7-5-10-8(6-9-7)1-3-12-4-2-8/h10H,1-6H2,(H,9,11)
InChIKeyJZLCKTCLMVWGPI-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.75
Rot. Bonds

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

9-oxa-1,4-diazaspiro[5.5]undecan-3-one (PubChem CID 82412456) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 9-oxa-1,4-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-oxa-1,4-diazaspiro[5.5]undecan-3-one
PubChem CID82412456
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name9-oxa-1,4-diazaspiro[5.5]undecan-3-one
SMILESO=C1CNC2(CCOCC2)CN1
InChIInChI=1S/C8H14N2O2/c11-7-5-10-8(6-9-7)1-3-12-4-2-8/h10H,1-6H2,(H,9,11)
InChIKeyJZLCKTCLMVWGPI-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 9-oxa-1,4-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-oxa-1,4-diazaspiro[5.5]undecan-3-one (CID 82412456) is 9-oxa-1,4-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-oxa-1,4-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-oxa-1,4-diazaspiro[5.5]undecan-3-one is O=C1CNC2(CCOCC2)CN1.
What is the InChIKey of 9-oxa-1,4-diazaspiro[5.5]undecan-3-one?
The InChIKey is JZLCKTCLMVWGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c11-7-5-10-8(6-9-7)1-3-12-4-2-8/h10H,1-6H2,(H,9,11).
What are the key properties of 9-oxa-1,4-diazaspiro[5.5]undecan-3-one?
9-oxa-1,4-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 9-oxa-1,4-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 82412456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).