4-oxa-1,8-diazaspiro[5.5]undecan-2-one

C8H14N2O2 — CID 115067081

IUPAC4-oxa-1,8-diazaspiro[5.5]undecan-2-one
SMILESO=C1COCC2(CCCNC2)N1
InChIInChI=1S/C8H14N2O2/c11-7-4-12-6-8(10-7)2-1-3-9-5-8/h9H,1-6H2,(H,10,11)
InChIKeyHTMMPVZEICOSLR-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.75
Rot. Bonds

About 4-oxa-1,8-diazaspiro[5.5]undecan-2-one

4-oxa-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 115067081) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-oxa-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name4-oxa-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID115067081
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name4-oxa-1,8-diazaspiro[5.5]undecan-2-one
SMILESO=C1COCC2(CCCNC2)N1
InChIInChI=1S/C8H14N2O2/c11-7-4-12-6-8(10-7)2-1-3-9-5-8/h9H,1-6H2,(H,10,11)
InChIKeyHTMMPVZEICOSLR-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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Related Compounds

9-oxa-6-azaspiro[4.5]decan-7-one
CID 130769444
4-oxa-1-azaspiro[5.5]undecan-2-one
CID 59718888
3-oxa-1,9-diazaspiro[4.5]decan-2-one
CID 83872853
2,7,10-triazaspiro[5.6]dodecan-8-one
CID 162422719
2,7,10-triazaspiro[5.6]dodecan-8-one;dihydrochloride
CID 162422718
8-oxa-2,5-diazaspiro[3.6]decan-6-one;dihydrochloride
CID 139019988
1,3,9-triazaspiro[4.5]decan-2-one
CID 83679914
10-oxa-1,7-diazaspiro[4.6]undecane
CID 118210142
1,4,8-triazaspiro[5.5]undecane
CID 57350918
2-oxa-5,8-diazaspiro[3.7]undecane
CID 118210062
1,4,9-triazaspiro[4.5]decan-3-one
CID 67172447
8-oxa-4-azaspiro[2.6]nonan-5-one
CID 84648617

Frequently Asked Questions

What is the IUPAC name of 4-oxa-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 4-oxa-1,8-diazaspiro[5.5]undecan-2-one (CID 115067081) is 4-oxa-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 4-oxa-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 4-oxa-1,8-diazaspiro[5.5]undecan-2-one is O=C1COCC2(CCCNC2)N1.
What is the InChIKey of 4-oxa-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is HTMMPVZEICOSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c11-7-4-12-6-8(10-7)2-1-3-9-5-8/h9H,1-6H2,(H,10,11).
What are the key properties of 4-oxa-1,8-diazaspiro[5.5]undecan-2-one?
4-oxa-1,8-diazaspiro[5.5]undecan-2-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 4-oxa-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 115067081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).