6-(4-bromophenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione

C14H14BrNO3 — CID 79435278

IUPAC6-(4-bromophenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCOC2)C(c2ccc(Br)cc2)C(=O)N1
InChIInChI=1S/C14H14BrNO3/c15-10-3-1-9(2-4-10)12-13(18)16-11(17)7-14(12)5-6-19-8-14/h1-4,12H,5-8H2,(H,16,17,18)
InChIKeyMEKZDGPQZOGCDT-UHFFFAOYSA-N
MW324.17 g/mol
LogP1.99
Rot. Bonds1

About 6-(4-bromophenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione

6-(4-bromophenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 79435278) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name6-(4-bromophenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione
PubChem CID79435278
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name6-(4-bromophenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCOC2)C(c2ccc(Br)cc2)C(=O)N1
InChIInChI=1S/C14H14BrNO3/c15-10-3-1-9(2-4-10)12-13(18)16-11(17)7-14(12)5-6-19-8-14/h1-4,12H,5-8H2,(H,16,17,18)
InChIKeyMEKZDGPQZOGCDT-UHFFFAOYSA-N
XLogP1.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 6-(4-bromophenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione (CID 79435278) is 6-(4-bromophenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 6-(4-bromophenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 6-(4-bromophenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCOC2)C(c2ccc(Br)cc2)C(=O)N1.
What is the InChIKey of 6-(4-bromophenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is MEKZDGPQZOGCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c15-10-3-1-9(2-4-10)12-13(18)16-11(17)7-14(12)5-6-19-8-14/h1-4,12H,5-8H2,(H,16,17,18).
What are the key properties of 6-(4-bromophenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione?
6-(4-bromophenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 324.17 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 79435278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).