7,10,11-trioxa-4-azadispiro[4.0.46.25]dodecane-8,9-dione

C8H9NO5 — CID 140606578

IUPAC7,10,11-trioxa-4-azadispiro[4.0.46.25]dodecane-8,9-dione
SMILESO=C1OC2(OCC23CCCN3)OC1=O
InChIInChI=1S/C8H9NO5/c10-5-6(11)14-8(13-5)7(4-12-8)2-1-3-9-7/h9H,1-4H2
InChIKeyFGORJIJGBXAEJB-UHFFFAOYSA-N
MW199.16 g/mol
LogP-1.11
Rot. Bonds

About 7,10,11-trioxa-4-azadispiro[4.0.46.25]dodecane-8,9-dione

7,10,11-trioxa-4-azadispiro[4.0.46.25]dodecane-8,9-dione (PubChem CID 140606578) has the molecular formula C8H9NO5 and a molecular weight of 199.16 g/mol. Its IUPAC name is 7,10,11-trioxa-4-azadispiro[4.0.46.25]dodecane-8,9-dione.

Molecular Properties

Compound Name7,10,11-trioxa-4-azadispiro[4.0.46.25]dodecane-8,9-dione
PubChem CID140606578
Molecular FormulaC8H9NO5
Molecular Weight199.16 g/mol
Exact Mass199.05
IUPAC Name7,10,11-trioxa-4-azadispiro[4.0.46.25]dodecane-8,9-dione
SMILESO=C1OC2(OCC23CCCN3)OC1=O
InChIInChI=1S/C8H9NO5/c10-5-6(11)14-8(13-5)7(4-12-8)2-1-3-9-7/h9H,1-4H2
InChIKeyFGORJIJGBXAEJB-UHFFFAOYSA-N
XLogP-1.11
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,10,11-trioxa-4-azadispiro[4.0.46.25]dodecane-8,9-dione?
The IUPAC name of 7,10,11-trioxa-4-azadispiro[4.0.46.25]dodecane-8,9-dione (CID 140606578) is 7,10,11-trioxa-4-azadispiro[4.0.46.25]dodecane-8,9-dione.
What is the SMILES notation for 7,10,11-trioxa-4-azadispiro[4.0.46.25]dodecane-8,9-dione?
The canonical SMILES for 7,10,11-trioxa-4-azadispiro[4.0.46.25]dodecane-8,9-dione is O=C1OC2(OCC23CCCN3)OC1=O.
What is the InChIKey of 7,10,11-trioxa-4-azadispiro[4.0.46.25]dodecane-8,9-dione?
The InChIKey is FGORJIJGBXAEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO5/c10-5-6(11)14-8(13-5)7(4-12-8)2-1-3-9-7/h9H,1-4H2.
What are the key properties of 7,10,11-trioxa-4-azadispiro[4.0.46.25]dodecane-8,9-dione?
7,10,11-trioxa-4-azadispiro[4.0.46.25]dodecane-8,9-dione has a molecular weight of 199.16 g/mol, XLogP of -1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10,11-trioxa-4-azadispiro[4.0.46.25]dodecane-8,9-dione is sourced from PubChem (CID 140606578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).