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

C15H20N2O2 — CID 20522041

IUPAC9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(Cc3ccccc3)CC2)CN1
InChIInChI=1S/C15H20N2O2/c18-14-11-19-15(12-16-14)6-8-17(9-7-15)10-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)
InChIKeyMUFUADWIRPMDDB-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.17
Rot. Bonds2

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

9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 20522041) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID20522041
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(Cc3ccccc3)CC2)CN1
InChIInChI=1S/C15H20N2O2/c18-14-11-19-15(12-16-14)6-8-17(9-7-15)10-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)
InChIKeyMUFUADWIRPMDDB-UHFFFAOYSA-N
XLogP1.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 20522041) is 9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(Cc3ccccc3)CC2)CN1.
What is the InChIKey of 9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is MUFUADWIRPMDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-14-11-19-15(12-16-14)6-8-17(9-7-15)10-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18).
What are the key properties of 9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 260.34 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 20522041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).