4,7-diazaspiro[2.5]octan-8-one

C6H10N2O — CID 55253256

IUPAC4,7-diazaspiro[2.5]octan-8-one
SMILESO=C1NCCNC12CC2
InChIInChI=1S/C6H10N2O/c9-5-6(1-2-6)8-4-3-7-5/h8H,1-4H2,(H,7,9)
InChIKeyFSLZGHJDIDSIPF-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.76
Rot. Bonds

About 4,7-diazaspiro[2.5]octan-8-one

4,7-diazaspiro[2.5]octan-8-one (PubChem CID 55253256) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 4,7-diazaspiro[2.5]octan-8-one.

Molecular Properties

Compound Name4,7-diazaspiro[2.5]octan-8-one
PubChem CID55253256
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name4,7-diazaspiro[2.5]octan-8-one
SMILESO=C1NCCNC12CC2
InChIInChI=1S/C6H10N2O/c9-5-6(1-2-6)8-4-3-7-5/h8H,1-4H2,(H,7,9)
InChIKeyFSLZGHJDIDSIPF-UHFFFAOYSA-N
XLogP-0.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-diazaspiro[2.5]octan-8-one?
The IUPAC name of 4,7-diazaspiro[2.5]octan-8-one (CID 55253256) is 4,7-diazaspiro[2.5]octan-8-one.
What is the SMILES notation for 4,7-diazaspiro[2.5]octan-8-one?
The canonical SMILES for 4,7-diazaspiro[2.5]octan-8-one is O=C1NCCNC12CC2.
What is the InChIKey of 4,7-diazaspiro[2.5]octan-8-one?
The InChIKey is FSLZGHJDIDSIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c9-5-6(1-2-6)8-4-3-7-5/h8H,1-4H2,(H,7,9).
What are the key properties of 4,7-diazaspiro[2.5]octan-8-one?
4,7-diazaspiro[2.5]octan-8-one has a molecular weight of 126.16 g/mol, XLogP of -0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diazaspiro[2.5]octan-8-one is sourced from PubChem (CID 55253256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).