6-oxa-2,8-diazaspiro[4.5]decan-7-one

C7H12N2O2 — CID 84763730

IUPAC6-oxa-2,8-diazaspiro[4.5]decan-7-one
SMILESO=C1NCCC2(CCNC2)O1
InChIInChI=1S/C7H12N2O2/c10-6-9-4-2-7(11-6)1-3-8-5-7/h8H,1-5H2,(H,9,10)
InChIKeyWHMMGTBJPICXPN-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.15
Rot. Bonds

About 6-oxa-2,8-diazaspiro[4.5]decan-7-one

6-oxa-2,8-diazaspiro[4.5]decan-7-one (PubChem CID 84763730) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 6-oxa-2,8-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name6-oxa-2,8-diazaspiro[4.5]decan-7-one
PubChem CID84763730
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name6-oxa-2,8-diazaspiro[4.5]decan-7-one
SMILESO=C1NCCC2(CCNC2)O1
InChIInChI=1S/C7H12N2O2/c10-6-9-4-2-7(11-6)1-3-8-5-7/h8H,1-5H2,(H,9,10)
InChIKeyWHMMGTBJPICXPN-UHFFFAOYSA-N
XLogP-0.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxa-2,8-diazaspiro[4.5]decan-7-one?
The IUPAC name of 6-oxa-2,8-diazaspiro[4.5]decan-7-one (CID 84763730) is 6-oxa-2,8-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for 6-oxa-2,8-diazaspiro[4.5]decan-7-one?
The canonical SMILES for 6-oxa-2,8-diazaspiro[4.5]decan-7-one is O=C1NCCC2(CCNC2)O1.
What is the InChIKey of 6-oxa-2,8-diazaspiro[4.5]decan-7-one?
The InChIKey is WHMMGTBJPICXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c10-6-9-4-2-7(11-6)1-3-8-5-7/h8H,1-5H2,(H,9,10).
What are the key properties of 6-oxa-2,8-diazaspiro[4.5]decan-7-one?
6-oxa-2,8-diazaspiro[4.5]decan-7-one has a molecular weight of 156.18 g/mol, XLogP of -0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-2,8-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 84763730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).