1,3-diazaspiro[4.5]decan-2-one

C8H14N2O — CID 10214405

IUPAC1,3-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCCCC2)N1
InChIInChI=1S/C8H14N2O/c11-7-9-6-8(10-7)4-2-1-3-5-8/h1-6H2,(H2,9,10,11)
InChIKeyAFXUAEAIXDBZOX-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.00
Rot. Bonds

About 1,3-diazaspiro[4.5]decan-2-one

1,3-diazaspiro[4.5]decan-2-one (PubChem CID 10214405) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1,3-diazaspiro[4.5]decan-2-one
PubChem CID10214405
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1,3-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCCCC2)N1
InChIInChI=1S/C8H14N2O/c11-7-9-6-8(10-7)4-2-1-3-5-8/h1-6H2,(H2,9,10,11)
InChIKeyAFXUAEAIXDBZOX-UHFFFAOYSA-N
XLogP1.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1,3-diazaspiro[4.5]decan-2-one (CID 10214405) is 1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1,3-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCCCC2)N1.
What is the InChIKey of 1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is AFXUAEAIXDBZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c11-7-9-6-8(10-7)4-2-1-3-5-8/h1-6H2,(H2,9,10,11).
What are the key properties of 1,3-diazaspiro[4.5]decan-2-one?
1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 10214405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).