9-oxa-1,3-diazaspiro[5.5]undecane-2,4-dione

C8H12N2O3 — CID 170903891

IUPAC9-oxa-1,3-diazaspiro[5.5]undecane-2,4-dione
SMILESO=C1CC2(CCOCC2)NC(=O)N1
InChIInChI=1S/C8H12N2O3/c11-6-5-8(10-7(12)9-6)1-3-13-4-2-8/h1-5H2,(H2,9,10,11,12)
InChIKeyLGGXQPREXGPJNR-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.23
Rot. Bonds

About 9-oxa-1,3-diazaspiro[5.5]undecane-2,4-dione

9-oxa-1,3-diazaspiro[5.5]undecane-2,4-dione (PubChem CID 170903891) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 9-oxa-1,3-diazaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name9-oxa-1,3-diazaspiro[5.5]undecane-2,4-dione
PubChem CID170903891
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name9-oxa-1,3-diazaspiro[5.5]undecane-2,4-dione
SMILESO=C1CC2(CCOCC2)NC(=O)N1
InChIInChI=1S/C8H12N2O3/c11-6-5-8(10-7(12)9-6)1-3-13-4-2-8/h1-5H2,(H2,9,10,11,12)
InChIKeyLGGXQPREXGPJNR-UHFFFAOYSA-N
XLogP-0.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-oxa-2,5-diazaspiro[3.6]decan-6-one;dihydrochloride
CID 139019988
6-bromospiro[2,4-dihydroisoquinoline-3,4'-oxane]-1-one
CID 175809702
9-oxa-1-azaspiro[5.5]undecan-3-one
CID 155894731
10-oxa-3-thia-13-azadispiro[5.0.57.36]pentadecan-14-one
CID 165466878
7-oxaspiro[3.5]nonan-2-one
CID 67451909
7-oxa-1-azaspiro[4.4]nonan-3-one
CID 115011406
2,6-dioxospiro[1,3-diazinane-4,2'-1,3-dihydroindene]-5'-carboxylic acid
CID 143403203
9-oxa-6-azaspiro[4.5]decan-7-one
CID 130769444
8-oxa-4-azaspiro[2.6]nonan-5-one
CID 84648617
3,9-dioxaspiro[5.5]undecane-2,4-dione
CID 138991363
7-oxa-1-azaspiro[3.5]nonane;hydrochloride
CID 122163983
1,3-dioxolan-2-one;pyrrolidine-2,5-dione
CID 66849817

Frequently Asked Questions

What is the IUPAC name of 9-oxa-1,3-diazaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 9-oxa-1,3-diazaspiro[5.5]undecane-2,4-dione (CID 170903891) is 9-oxa-1,3-diazaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 9-oxa-1,3-diazaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 9-oxa-1,3-diazaspiro[5.5]undecane-2,4-dione is O=C1CC2(CCOCC2)NC(=O)N1.
What is the InChIKey of 9-oxa-1,3-diazaspiro[5.5]undecane-2,4-dione?
The InChIKey is LGGXQPREXGPJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c11-6-5-8(10-7(12)9-6)1-3-13-4-2-8/h1-5H2,(H2,9,10,11,12).
What are the key properties of 9-oxa-1,3-diazaspiro[5.5]undecane-2,4-dione?
9-oxa-1,3-diazaspiro[5.5]undecane-2,4-dione has a molecular weight of 184.19 g/mol, XLogP of -0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxa-1,3-diazaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 170903891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).