3-oxa-1,9-diazaspiro[4.6]undecan-2-one

C8H14N2O2 — CID 84765780

IUPAC3-oxa-1,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1NC2(CCCNCC2)CO1
InChIInChI=1S/C8H14N2O2/c11-7-10-8(6-12-7)2-1-4-9-5-3-8/h9H,1-6H2,(H,10,11)
InChIKeyBCUDIJOQNMYXPO-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.24
Rot. Bonds

About 3-oxa-1,9-diazaspiro[4.6]undecan-2-one

3-oxa-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 84765780) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-oxa-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name3-oxa-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID84765780
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-oxa-1,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1NC2(CCCNCC2)CO1
InChIInChI=1S/C8H14N2O2/c11-7-10-8(6-12-7)2-1-4-9-5-3-8/h9H,1-6H2,(H,10,11)
InChIKeyBCUDIJOQNMYXPO-UHFFFAOYSA-N
XLogP0.24
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 ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxa-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 3-oxa-1,9-diazaspiro[4.6]undecan-2-one (CID 84765780) is 3-oxa-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 3-oxa-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 3-oxa-1,9-diazaspiro[4.6]undecan-2-one is O=C1NC2(CCCNCC2)CO1.
What is the InChIKey of 3-oxa-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is BCUDIJOQNMYXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c11-7-10-8(6-12-7)2-1-4-9-5-3-8/h9H,1-6H2,(H,10,11).
What are the key properties of 3-oxa-1,9-diazaspiro[4.6]undecan-2-one?
3-oxa-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 170.21 g/mol, XLogP of 0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 84765780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).