3-(4-bromophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C13H15BrN2O — CID 154810215

IUPAC3-(4-bromophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESBrc1ccc(C2=NOC3(CCNCC3)C2)cc1
InChIInChI=1S/C13H15BrN2O/c14-11-3-1-10(2-4-11)12-9-13(17-16-12)5-7-15-8-6-13/h1-4,15H,5-9H2
InChIKeyJYWMXWXZRIGICZ-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.70
Rot. Bonds1

About 3-(4-bromophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

3-(4-bromophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 154810215) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID154810215
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name3-(4-bromophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESBrc1ccc(C2=NOC3(CCNCC3)C2)cc1
InChIInChI=1S/C13H15BrN2O/c14-11-3-1-10(2-4-11)12-9-13(17-16-12)5-7-15-8-6-13/h1-4,15H,5-9H2
InChIKeyJYWMXWXZRIGICZ-UHFFFAOYSA-N
XLogP2.70
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 3-(4-bromophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 154810215) is 3-(4-bromophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-(4-bromophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-(4-bromophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is Brc1ccc(C2=NOC3(CCNCC3)C2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is JYWMXWXZRIGICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c14-11-3-1-10(2-4-11)12-9-13(17-16-12)5-7-15-8-6-13/h1-4,15H,5-9H2.
What are the key properties of 3-(4-bromophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
3-(4-bromophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 295.18 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 154810215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).