8-benzyl-3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C14H17BrN2O — CID 39083032

IUPAC8-benzyl-3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESBrC1=NOC2(CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C14H17BrN2O/c15-13-10-14(18-16-13)6-8-17(9-7-14)11-12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyZIFIQTKMLPXROZ-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.15
Rot. Bonds2

About 8-benzyl-3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

8-benzyl-3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 39083032) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 8-benzyl-3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name8-benzyl-3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID39083032
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name8-benzyl-3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESBrC1=NOC2(CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C14H17BrN2O/c15-13-10-14(18-16-13)6-8-17(9-7-14)11-12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyZIFIQTKMLPXROZ-UHFFFAOYSA-N
XLogP3.15
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 8-benzyl-3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 39083032) is 8-benzyl-3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 8-benzyl-3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 8-benzyl-3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is BrC1=NOC2(CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of 8-benzyl-3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is ZIFIQTKMLPXROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c15-13-10-14(18-16-13)6-8-17(9-7-14)11-12-4-2-1-3-5-12/h1-5H,6-11H2.
What are the key properties of 8-benzyl-3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
8-benzyl-3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 309.21 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 39083032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).