5-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C12H22N2O2 — CID 20522027

IUPAC5-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCCCC1NC(=O)COC12CCNCC2
InChIInChI=1S/C12H22N2O2/c1-2-3-4-10-12(5-7-13-8-6-12)16-9-11(15)14-10/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyVWEUTPRTOZKDHK-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.81
Rot. Bonds3

About 5-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

5-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 20522027) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name5-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID20522027
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name5-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCCCC1NC(=O)COC12CCNCC2
InChIInChI=1S/C12H22N2O2/c1-2-3-4-10-12(5-7-13-8-6-12)16-9-11(15)14-10/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyVWEUTPRTOZKDHK-UHFFFAOYSA-N
XLogP0.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 5-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 20522027) is 5-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 5-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 5-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CCCCC1NC(=O)COC12CCNCC2.
What is the InChIKey of 5-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is VWEUTPRTOZKDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-3-4-10-12(5-7-13-8-6-12)16-9-11(15)14-10/h10,13H,2-9H2,1H3,(H,14,15).
What are the key properties of 5-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
5-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 226.32 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 20522027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).