9-(4-bromophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one

C13H15BrN2O2 — CID 115067392

IUPAC9-(4-bromophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESO=C1COC2(CCNC2)CN1c1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2O2/c14-10-1-3-11(4-2-10)16-9-13(5-6-15-8-13)18-7-12(16)17/h1-4,15H,5-9H2
InChIKeyZQBMBMMEQXFLKU-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.54
Rot. Bonds1

About 9-(4-bromophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one

9-(4-bromophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one (PubChem CID 115067392) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 9-(4-bromophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name9-(4-bromophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
PubChem CID115067392
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name9-(4-bromophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESO=C1COC2(CCNC2)CN1c1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2O2/c14-10-1-3-11(4-2-10)16-9-13(5-6-15-8-13)18-7-12(16)17/h1-4,15H,5-9H2
InChIKeyZQBMBMMEQXFLKU-UHFFFAOYSA-N
XLogP1.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 115067460
4-(2-hydroxyphenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 115067456
9-cyclobutyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 115067370
4-[2-(trifluoromethyl)phenyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 115067452
5-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile
CID 66783531
2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 121229716
9-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985994
4-(5-fluoro-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 66783323
4-(2-methylphenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 115067498
4-(2-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 115067499
4-(4-fluorophenyl)-9-(1-methylcyclohexanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986011
4-(4-fluorophenyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562454

Frequently Asked Questions

What is the IUPAC name of 9-(4-bromophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The IUPAC name of 9-(4-bromophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one (CID 115067392) is 9-(4-bromophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one.
What is the SMILES notation for 9-(4-bromophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The canonical SMILES for 9-(4-bromophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one is O=C1COC2(CCNC2)CN1c1ccc(Br)cc1.
What is the InChIKey of 9-(4-bromophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The InChIKey is ZQBMBMMEQXFLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c14-10-1-3-11(4-2-10)16-9-13(5-6-15-8-13)18-7-12(16)17/h1-4,15H,5-9H2.
What are the key properties of 9-(4-bromophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
9-(4-bromophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one has a molecular weight of 311.18 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one is sourced from PubChem (CID 115067392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).