3-oxa-1,9-diazaspiro[4.5]decan-2-one

C7H12N2O2 — CID 83872853

IUPAC3-oxa-1,9-diazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCCNC2)CO1
InChIInChI=1S/C7H12N2O2/c10-6-9-7(5-11-6)2-1-3-8-4-7/h8H,1-5H2,(H,9,10)
InChIKeyOLQCFJLSEHXWBZ-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.15
Rot. Bonds

About 3-oxa-1,9-diazaspiro[4.5]decan-2-one

3-oxa-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 83872853) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 3-oxa-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-oxa-1,9-diazaspiro[4.5]decan-2-one
PubChem CID83872853
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name3-oxa-1,9-diazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCCNC2)CO1
InChIInChI=1S/C7H12N2O2/c10-6-9-7(5-11-6)2-1-3-8-4-7/h8H,1-5H2,(H,9,10)
InChIKeyOLQCFJLSEHXWBZ-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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Related Compounds

4-oxa-1,8-diazaspiro[5.5]undecan-2-one
CID 115067081
1,3,9-triazaspiro[4.5]decan-2-one
CID 83679914
2,7,10-triazaspiro[5.6]dodecan-8-one
CID 162422719
2,7,10-triazaspiro[5.6]dodecan-8-one;dihydrochloride
CID 162422718
8-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one
CID 155396955
1,4,8-triazaspiro[5.5]undecane
CID 57350918
2,9-diazaspiro[4.5]decan-1-one
CID 23135196
2λ6-thia-1,9-diazaspiro[4.5]decane 2,2-dioxide
CID 175977076
10-oxa-1,7-diazaspiro[4.6]undecane
CID 118210142
1,8-diazaspiro[3.5]nonane;propane
CID 123647748
(5S)-1-oxa-9-azaspiro[4.5]decan-2-one
CID 86334414
1,4,9-triazaspiro[4.5]decan-3-one
CID 67172447

Frequently Asked Questions

What is the IUPAC name of 3-oxa-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-oxa-1,9-diazaspiro[4.5]decan-2-one (CID 83872853) is 3-oxa-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-oxa-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-oxa-1,9-diazaspiro[4.5]decan-2-one is O=C1NC2(CCCNC2)CO1.
What is the InChIKey of 3-oxa-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is OLQCFJLSEHXWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c10-6-9-7(5-11-6)2-1-3-8-4-7/h8H,1-5H2,(H,9,10).
What are the key properties of 3-oxa-1,9-diazaspiro[4.5]decan-2-one?
3-oxa-1,9-diazaspiro[4.5]decan-2-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 3-oxa-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 83872853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).