1-oxa-9-azaspiro[4.5]dec-6-ene-8,10-dione

C8H9NO3 — CID 138463149

IUPAC1-oxa-9-azaspiro[4.5]dec-6-ene-8,10-dione
SMILESO=C1C=CC2(CCCO2)C(=O)N1
InChIInChI=1S/C8H9NO3/c10-6-2-4-8(7(11)9-6)3-1-5-12-8/h2,4H,1,3,5H2,(H,9,10,11)
InChIKeySBTLXDOSXMRRNU-UHFFFAOYSA-N
MW167.16 g/mol
LogP-0.25
Rot. Bonds

About 1-oxa-9-azaspiro[4.5]dec-6-ene-8,10-dione

1-oxa-9-azaspiro[4.5]dec-6-ene-8,10-dione (PubChem CID 138463149) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 1-oxa-9-azaspiro[4.5]dec-6-ene-8,10-dione.

Molecular Properties

Compound Name1-oxa-9-azaspiro[4.5]dec-6-ene-8,10-dione
PubChem CID138463149
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name1-oxa-9-azaspiro[4.5]dec-6-ene-8,10-dione
SMILESO=C1C=CC2(CCCO2)C(=O)N1
InChIInChI=1S/C8H9NO3/c10-6-2-4-8(7(11)9-6)3-1-5-12-8/h2,4H,1,3,5H2,(H,9,10,11)
InChIKeySBTLXDOSXMRRNU-UHFFFAOYSA-N
XLogP-0.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-9-azaspiro[4.5]dec-6-ene-8,10-dione?
The IUPAC name of 1-oxa-9-azaspiro[4.5]dec-6-ene-8,10-dione (CID 138463149) is 1-oxa-9-azaspiro[4.5]dec-6-ene-8,10-dione.
What is the SMILES notation for 1-oxa-9-azaspiro[4.5]dec-6-ene-8,10-dione?
The canonical SMILES for 1-oxa-9-azaspiro[4.5]dec-6-ene-8,10-dione is O=C1C=CC2(CCCO2)C(=O)N1.
What is the InChIKey of 1-oxa-9-azaspiro[4.5]dec-6-ene-8,10-dione?
The InChIKey is SBTLXDOSXMRRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c10-6-2-4-8(7(11)9-6)3-1-5-12-8/h2,4H,1,3,5H2,(H,9,10,11).
What are the key properties of 1-oxa-9-azaspiro[4.5]dec-6-ene-8,10-dione?
1-oxa-9-azaspiro[4.5]dec-6-ene-8,10-dione has a molecular weight of 167.16 g/mol, XLogP of -0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-9-azaspiro[4.5]dec-6-ene-8,10-dione is sourced from PubChem (CID 138463149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).