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

C13H15BrN2O — CID 58134925

IUPAC3-bromo-8-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESBrC1=NOC2(CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C13H15BrN2O/c14-12-10-13(17-15-12)6-8-16(9-7-13)11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyMXZZGPQMZPJGNU-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.15
Rot. Bonds1

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

3-bromo-8-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 58134925) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 3-bromo-8-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-bromo-8-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID58134925
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name3-bromo-8-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESBrC1=NOC2(CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C13H15BrN2O/c14-12-10-13(17-15-12)6-8-16(9-7-13)11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyMXZZGPQMZPJGNU-UHFFFAOYSA-N
XLogP3.15
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 3-bromo-8-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 58134925) is 3-bromo-8-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-bromo-8-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-bromo-8-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is BrC1=NOC2(CCN(c3ccccc3)CC2)C1.
What is the InChIKey of 3-bromo-8-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is MXZZGPQMZPJGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c14-12-10-13(17-15-12)6-8-16(9-7-13)11-4-2-1-3-5-11/h1-5H,6-10H2.
What are the key properties of 3-bromo-8-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
3-bromo-8-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 295.18 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 58134925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).