4-azaspiro[2.4]heptan-5-one

C6H9NO — CID 10678200

IUPAC4-azaspiro[2.4]heptan-5-one
SMILESO=C1CCC2(CC2)N1
InChIInChI=1S/C6H9NO/c8-5-1-2-6(7-5)3-4-6/h1-4H2,(H,7,8)
InChIKeyVQUZFCQUXHZVOW-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.43
Rot. Bonds

About 4-azaspiro[2.4]heptan-5-one

4-azaspiro[2.4]heptan-5-one (PubChem CID 10678200) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 4-azaspiro[2.4]heptan-5-one.

Molecular Properties

Compound Name4-azaspiro[2.4]heptan-5-one
PubChem CID10678200
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name4-azaspiro[2.4]heptan-5-one
SMILESO=C1CCC2(CC2)N1
InChIInChI=1S/C6H9NO/c8-5-1-2-6(7-5)3-4-6/h1-4H2,(H,7,8)
InChIKeyVQUZFCQUXHZVOW-UHFFFAOYSA-N
XLogP0.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-azaspiro[2.4]heptan-5-one?
The IUPAC name of 4-azaspiro[2.4]heptan-5-one (CID 10678200) is 4-azaspiro[2.4]heptan-5-one.
What is the SMILES notation for 4-azaspiro[2.4]heptan-5-one?
The canonical SMILES for 4-azaspiro[2.4]heptan-5-one is O=C1CCC2(CC2)N1.
What is the InChIKey of 4-azaspiro[2.4]heptan-5-one?
The InChIKey is VQUZFCQUXHZVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c8-5-1-2-6(7-5)3-4-6/h1-4H2,(H,7,8).
What are the key properties of 4-azaspiro[2.4]heptan-5-one?
4-azaspiro[2.4]heptan-5-one has a molecular weight of 111.14 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azaspiro[2.4]heptan-5-one is sourced from PubChem (CID 10678200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).