9-oxa-2-azaspiro[5.5]undecane-3,5-dione

C9H13NO3 — CID 83817195

IUPAC9-oxa-2-azaspiro[5.5]undecane-3,5-dione
SMILESO=C1CC(=O)C2(CCOCC2)CN1
InChIInChI=1S/C9H13NO3/c11-7-5-8(12)10-6-9(7)1-3-13-4-2-9/h1-6H2,(H,10,12)
InChIKeyIRIWNYNNGWSOQK-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.13
Rot. Bonds

About 9-oxa-2-azaspiro[5.5]undecane-3,5-dione

9-oxa-2-azaspiro[5.5]undecane-3,5-dione (PubChem CID 83817195) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 9-oxa-2-azaspiro[5.5]undecane-3,5-dione.

Molecular Properties

Compound Name9-oxa-2-azaspiro[5.5]undecane-3,5-dione
PubChem CID83817195
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name9-oxa-2-azaspiro[5.5]undecane-3,5-dione
SMILESO=C1CC(=O)C2(CCOCC2)CN1
InChIInChI=1S/C9H13NO3/c11-7-5-8(12)10-6-9(7)1-3-13-4-2-9/h1-6H2,(H,10,12)
InChIKeyIRIWNYNNGWSOQK-UHFFFAOYSA-N
XLogP-0.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 9-oxa-2-azaspiro[5.5]undecane-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-oxa-12-azadispiro[2.1.55.33]tridecan-11-one
CID 130118730
2,8-dioxaspiro[4.5]decan-4-one
CID 167727896
4-propyl-9-oxa-2,4-diazaspiro[5.5]undecane-3,5-dione
CID 115440645
spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carbonitrile
CID 152618988
4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-1-one
CID 126836629
7-oxaspiro[3.5]nonan-2-one
CID 67451909
spiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane]
CID 96622382
8-bromospiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,4'-oxane]-2-one
CID 113310330
5,7-diazaspiro[2.5]octane-6,8-dione
CID 115451832
(4S)-4-hydroxy-8-oxa-2-azaspiro[4.5]decan-3-one
CID 125180842
9-oxa-1,3-diazaspiro[5.5]undecane-2,4-dione
CID 170903891
5,7-difluorospiro[1,2-dihydroindole-3,4'-oxane]
CID 106701657

Frequently Asked Questions

What is the IUPAC name of 9-oxa-2-azaspiro[5.5]undecane-3,5-dione?
The IUPAC name of 9-oxa-2-azaspiro[5.5]undecane-3,5-dione (CID 83817195) is 9-oxa-2-azaspiro[5.5]undecane-3,5-dione.
What is the SMILES notation for 9-oxa-2-azaspiro[5.5]undecane-3,5-dione?
The canonical SMILES for 9-oxa-2-azaspiro[5.5]undecane-3,5-dione is O=C1CC(=O)C2(CCOCC2)CN1.
What is the InChIKey of 9-oxa-2-azaspiro[5.5]undecane-3,5-dione?
The InChIKey is IRIWNYNNGWSOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-7-5-8(12)10-6-9(7)1-3-13-4-2-9/h1-6H2,(H,10,12).
What are the key properties of 9-oxa-2-azaspiro[5.5]undecane-3,5-dione?
9-oxa-2-azaspiro[5.5]undecane-3,5-dione has a molecular weight of 183.21 g/mol, XLogP of -0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxa-2-azaspiro[5.5]undecane-3,5-dione is sourced from PubChem (CID 83817195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).