6-Azaspiro(3.4)octane-5,7-dione

C7H9NO2 — CID 15155

IUPAC6-azaspiro[3.4]octane-5,7-dione
SMILESC1CC2(C1)CC(=O)NC2=O
InChIInChI=1S/C7H9NO2/c9-5-4-7(2-1-3-7)6(10)8-5/h1-4H2,(H,8,9,10)
InChIKeyJIGMIHMXIINUHH-UHFFFAOYSA-N
MW139.15 g/mol
LogP-0.20
Rot. Bonds

About 6-Azaspiro(3.4)octane-5,7-dione

6-Azaspiro(3.4)octane-5,7-dione (PubChem CID 15155) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 6-azaspiro[3.4]octane-5,7-dione.

Molecular Properties

Compound Name6-Azaspiro(3.4)octane-5,7-dione
PubChem CID15155
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name6-azaspiro[3.4]octane-5,7-dione
SMILESC1CC2(C1)CC(=O)NC2=O
InChIInChI=1S/C7H9NO2/c9-5-4-7(2-1-3-7)6(10)8-5/h1-4H2,(H,8,9,10)
InChIKeyJIGMIHMXIINUHH-UHFFFAOYSA-N
XLogP-0.20
TPSA46.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity206

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-Azaspiro(3.4)octane-5,7-dione?
The IUPAC name of 6-Azaspiro(3.4)octane-5,7-dione (CID 15155) is 6-azaspiro[3.4]octane-5,7-dione.
What is the SMILES notation for 6-Azaspiro(3.4)octane-5,7-dione?
The canonical SMILES for 6-Azaspiro(3.4)octane-5,7-dione is C1CC2(C1)CC(=O)NC2=O.
What is the InChIKey of 6-Azaspiro(3.4)octane-5,7-dione?
The InChIKey is JIGMIHMXIINUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c9-5-4-7(2-1-3-7)6(10)8-5/h1-4H2,(H,8,9,10).
What are the key properties of 6-Azaspiro(3.4)octane-5,7-dione?
6-Azaspiro(3.4)octane-5,7-dione has a molecular weight of 139.15 g/mol, XLogP of -0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-Azaspiro(3.4)octane-5,7-dione is sourced from PubChem (CID 15155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).