5-(2-bromophenyl)-9-oxa-3-azaspiro[5.5]undecane-2,4-dione

C15H16BrNO3 — CID 79454268

IUPAC5-(2-bromophenyl)-9-oxa-3-azaspiro[5.5]undecane-2,4-dione
SMILESO=C1CC2(CCOCC2)C(c2ccccc2Br)C(=O)N1
InChIInChI=1S/C15H16BrNO3/c16-11-4-2-1-3-10(11)13-14(19)17-12(18)9-15(13)5-7-20-8-6-15/h1-4,13H,5-9H2,(H,17,18,19)
InChIKeyWUQUNNWTUVYLNX-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.38
Rot. Bonds1

About 5-(2-bromophenyl)-9-oxa-3-azaspiro[5.5]undecane-2,4-dione

5-(2-bromophenyl)-9-oxa-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 79454268) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 5-(2-bromophenyl)-9-oxa-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name5-(2-bromophenyl)-9-oxa-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID79454268
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name5-(2-bromophenyl)-9-oxa-3-azaspiro[5.5]undecane-2,4-dione
SMILESO=C1CC2(CCOCC2)C(c2ccccc2Br)C(=O)N1
InChIInChI=1S/C15H16BrNO3/c16-11-4-2-1-3-10(11)13-14(19)17-12(18)9-15(13)5-7-20-8-6-15/h1-4,13H,5-9H2,(H,17,18,19)
InChIKeyWUQUNNWTUVYLNX-UHFFFAOYSA-N
XLogP2.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.38
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 5-(2-bromophenyl)-9-oxa-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 5-(2-bromophenyl)-9-oxa-3-azaspiro[5.5]undecane-2,4-dione (CID 79454268) is 5-(2-bromophenyl)-9-oxa-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 5-(2-bromophenyl)-9-oxa-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 5-(2-bromophenyl)-9-oxa-3-azaspiro[5.5]undecane-2,4-dione is O=C1CC2(CCOCC2)C(c2ccccc2Br)C(=O)N1.
What is the InChIKey of 5-(2-bromophenyl)-9-oxa-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is WUQUNNWTUVYLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c16-11-4-2-1-3-10(11)13-14(19)17-12(18)9-15(13)5-7-20-8-6-15/h1-4,13H,5-9H2,(H,17,18,19).
What are the key properties of 5-(2-bromophenyl)-9-oxa-3-azaspiro[5.5]undecane-2,4-dione?
5-(2-bromophenyl)-9-oxa-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 338.20 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-9-oxa-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 79454268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).