(8R)-8-(4-bromophenyl)-6-azaspiro[3.4]octan-5-one

C13H14BrNO — CID 125450111

IUPAC(8R)-8-(4-bromophenyl)-6-azaspiro[3.4]octan-5-one
SMILESO=C1NC[C@H](c2ccc(Br)cc2)C12CCC2
InChIInChI=1S/C13H14BrNO/c14-10-4-2-9(3-5-10)11-8-15-12(16)13(11)6-1-7-13/h2-5,11H,1,6-8H2,(H,15,16)/t11-/m1/s1
InChIKeyJBSYYYLHZJKFFK-LLVKDONJSA-N
MW280.16 g/mol
LogP2.83
Rot. Bonds1

About (8R)-8-(4-bromophenyl)-6-azaspiro[3.4]octan-5-one

(8R)-8-(4-bromophenyl)-6-azaspiro[3.4]octan-5-one (PubChem CID 125450111) has the molecular formula C13H14BrNO and a molecular weight of 280.16 g/mol. Its IUPAC name is (8R)-8-(4-bromophenyl)-6-azaspiro[3.4]octan-5-one.

Molecular Properties

Compound Name(8R)-8-(4-bromophenyl)-6-azaspiro[3.4]octan-5-one
PubChem CID125450111
Molecular FormulaC13H14BrNO
Molecular Weight280.16 g/mol
Exact Mass279.03
IUPAC Name(8R)-8-(4-bromophenyl)-6-azaspiro[3.4]octan-5-one
SMILESO=C1NC[C@H](c2ccc(Br)cc2)C12CCC2
InChIInChI=1S/C13H14BrNO/c14-10-4-2-9(3-5-10)11-8-15-12(16)13(11)6-1-7-13/h2-5,11H,1,6-8H2,(H,15,16)/t11-/m1/s1
InChIKeyJBSYYYLHZJKFFK-LLVKDONJSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-(4-bromophenyl)-6-azaspiro[3.4]octan-5-one?
The IUPAC name of (8R)-8-(4-bromophenyl)-6-azaspiro[3.4]octan-5-one (CID 125450111) is (8R)-8-(4-bromophenyl)-6-azaspiro[3.4]octan-5-one.
What is the SMILES notation for (8R)-8-(4-bromophenyl)-6-azaspiro[3.4]octan-5-one?
The canonical SMILES for (8R)-8-(4-bromophenyl)-6-azaspiro[3.4]octan-5-one is O=C1NC[C@H](c2ccc(Br)cc2)C12CCC2.
What is the InChIKey of (8R)-8-(4-bromophenyl)-6-azaspiro[3.4]octan-5-one?
The InChIKey is JBSYYYLHZJKFFK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14BrNO/c14-10-4-2-9(3-5-10)11-8-15-12(16)13(11)6-1-7-13/h2-5,11H,1,6-8H2,(H,15,16)/t11-/m1/s1.
What are the key properties of (8R)-8-(4-bromophenyl)-6-azaspiro[3.4]octan-5-one?
(8R)-8-(4-bromophenyl)-6-azaspiro[3.4]octan-5-one has a molecular weight of 280.16 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(4-bromophenyl)-6-azaspiro[3.4]octan-5-one is sourced from PubChem (CID 125450111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).