11-(3-bromophenyl)-3-oxa-9-azaspiro[5.5]undecane

C15H20BrNO — CID 79432043

IUPAC11-(3-bromophenyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESBrc1cccc(C2CNCCC23CCOCC3)c1
InChIInChI=1S/C15H20BrNO/c16-13-3-1-2-12(10-13)14-11-17-7-4-15(14)5-8-18-9-6-15/h1-3,10,14,17H,4-9,11H2
InChIKeyGOEGIFNLDVFOKA-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.32
Rot. Bonds1

About 11-(3-bromophenyl)-3-oxa-9-azaspiro[5.5]undecane

11-(3-bromophenyl)-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 79432043) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is 11-(3-bromophenyl)-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name11-(3-bromophenyl)-3-oxa-9-azaspiro[5.5]undecane
PubChem CID79432043
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name11-(3-bromophenyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESBrc1cccc(C2CNCCC23CCOCC3)c1
InChIInChI=1S/C15H20BrNO/c16-13-3-1-2-12(10-13)14-11-17-7-4-15(14)5-8-18-9-6-15/h1-3,10,14,17H,4-9,11H2
InChIKeyGOEGIFNLDVFOKA-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-(3-bromophenyl)-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 11-(3-bromophenyl)-3-oxa-9-azaspiro[5.5]undecane (CID 79432043) is 11-(3-bromophenyl)-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 11-(3-bromophenyl)-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 11-(3-bromophenyl)-3-oxa-9-azaspiro[5.5]undecane is Brc1cccc(C2CNCCC23CCOCC3)c1.
What is the InChIKey of 11-(3-bromophenyl)-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is GOEGIFNLDVFOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-13-3-1-2-12(10-13)14-11-17-7-4-15(14)5-8-18-9-6-15/h1-3,10,14,17H,4-9,11H2.
What are the key properties of 11-(3-bromophenyl)-3-oxa-9-azaspiro[5.5]undecane?
11-(3-bromophenyl)-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 310.23 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-bromophenyl)-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 79432043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).