6-azaspiro[3.4]octane-2,5-dione

C7H9NO2 — CID 121207147

IUPAC6-azaspiro[3.4]octane-2,5-dione
SMILESO=C1CC2(CCNC2=O)C1
InChIInChI=1S/C7H9NO2/c9-5-3-7(4-5)1-2-8-6(7)10/h1-4H2,(H,8,10)
InChIKeyUZZSKGIHKCJBDB-UHFFFAOYSA-N
MW139.15 g/mol
LogP-0.14
Rot. Bonds

About 6-azaspiro[3.4]octane-2,5-dione

6-azaspiro[3.4]octane-2,5-dione (PubChem CID 121207147) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 6-azaspiro[3.4]octane-2,5-dione.

Molecular Properties

Compound Name6-azaspiro[3.4]octane-2,5-dione
PubChem CID121207147
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name6-azaspiro[3.4]octane-2,5-dione
SMILESO=C1CC2(CCNC2=O)C1
InChIInChI=1S/C7H9NO2/c9-5-3-7(4-5)1-2-8-6(7)10/h1-4H2,(H,8,10)
InChIKeyUZZSKGIHKCJBDB-UHFFFAOYSA-N
XLogP-0.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[3.4]octane-2,5-dione?
The IUPAC name of 6-azaspiro[3.4]octane-2,5-dione (CID 121207147) is 6-azaspiro[3.4]octane-2,5-dione.
What is the SMILES notation for 6-azaspiro[3.4]octane-2,5-dione?
The canonical SMILES for 6-azaspiro[3.4]octane-2,5-dione is O=C1CC2(CCNC2=O)C1.
What is the InChIKey of 6-azaspiro[3.4]octane-2,5-dione?
The InChIKey is UZZSKGIHKCJBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c9-5-3-7(4-5)1-2-8-6(7)10/h1-4H2,(H,8,10).
What are the key properties of 6-azaspiro[3.4]octane-2,5-dione?
6-azaspiro[3.4]octane-2,5-dione has a molecular weight of 139.15 g/mol, XLogP of -0.14, 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-2,5-dione is sourced from PubChem (CID 121207147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).