2-(4-bromophenyl)-8-oxa-2-azaspiro[4.5]decan-1-one

C14H16BrNO2 — CID 58468052

IUPAC2-(4-bromophenyl)-8-oxa-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(Br)cc2)CCC12CCOCC2
InChIInChI=1S/C14H16BrNO2/c15-11-1-3-12(4-2-11)16-8-5-14(13(16)17)6-9-18-10-7-14/h1-4H,5-10H2
InChIKeyHRBDOQYKABDOCH-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.98
Rot. Bonds1

About 2-(4-bromophenyl)-8-oxa-2-azaspiro[4.5]decan-1-one

2-(4-bromophenyl)-8-oxa-2-azaspiro[4.5]decan-1-one (PubChem CID 58468052) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-8-oxa-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-8-oxa-2-azaspiro[4.5]decan-1-one
PubChem CID58468052
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name2-(4-bromophenyl)-8-oxa-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(Br)cc2)CCC12CCOCC2
InChIInChI=1S/C14H16BrNO2/c15-11-1-3-12(4-2-11)16-8-5-14(13(16)17)6-9-18-10-7-14/h1-4H,5-10H2
InChIKeyHRBDOQYKABDOCH-UHFFFAOYSA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-8-oxa-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-(4-bromophenyl)-8-oxa-2-azaspiro[4.5]decan-1-one (CID 58468052) is 2-(4-bromophenyl)-8-oxa-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(4-bromophenyl)-8-oxa-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(4-bromophenyl)-8-oxa-2-azaspiro[4.5]decan-1-one is O=C1N(c2ccc(Br)cc2)CCC12CCOCC2.
What is the InChIKey of 2-(4-bromophenyl)-8-oxa-2-azaspiro[4.5]decan-1-one?
The InChIKey is HRBDOQYKABDOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c15-11-1-3-12(4-2-11)16-8-5-14(13(16)17)6-9-18-10-7-14/h1-4H,5-10H2.
What are the key properties of 2-(4-bromophenyl)-8-oxa-2-azaspiro[4.5]decan-1-one?
2-(4-bromophenyl)-8-oxa-2-azaspiro[4.5]decan-1-one has a molecular weight of 310.19 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-8-oxa-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 58468052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).