(2R,5R)-2-(4-bromophenyl)-7-oxa-1,4-diazaspiro[4.4]nonan-3-one

C12H13BrN2O2 — CID 124583205

IUPAC(2R,5R)-2-(4-bromophenyl)-7-oxa-1,4-diazaspiro[4.4]nonan-3-one
SMILESO=C1N[C@@]2(CCOC2)N[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2O2/c13-9-3-1-8(2-4-9)10-11(16)15-12(14-10)5-6-17-7-12/h1-4,10,14H,5-7H2,(H,15,16)/t10-,12-/m1/s1
InChIKeyKFGBNTAGMFIYLA-ZYHUDNBSSA-N
MW297.15 g/mol
LogP1.33
Rot. Bonds1

About (2R,5R)-2-(4-bromophenyl)-7-oxa-1,4-diazaspiro[4.4]nonan-3-one

(2R,5R)-2-(4-bromophenyl)-7-oxa-1,4-diazaspiro[4.4]nonan-3-one (PubChem CID 124583205) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is (2R,5R)-2-(4-bromophenyl)-7-oxa-1,4-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name(2R,5R)-2-(4-bromophenyl)-7-oxa-1,4-diazaspiro[4.4]nonan-3-one
PubChem CID124583205
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name(2R,5R)-2-(4-bromophenyl)-7-oxa-1,4-diazaspiro[4.4]nonan-3-one
SMILESO=C1N[C@@]2(CCOC2)N[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2O2/c13-9-3-1-8(2-4-9)10-11(16)15-12(14-10)5-6-17-7-12/h1-4,10,14H,5-7H2,(H,15,16)/t10-,12-/m1/s1
InChIKeyKFGBNTAGMFIYLA-ZYHUDNBSSA-N
XLogP1.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(4-bromophenyl)-7-oxa-1,4-diazaspiro[4.4]nonan-3-one?
The IUPAC name of (2R,5R)-2-(4-bromophenyl)-7-oxa-1,4-diazaspiro[4.4]nonan-3-one (CID 124583205) is (2R,5R)-2-(4-bromophenyl)-7-oxa-1,4-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for (2R,5R)-2-(4-bromophenyl)-7-oxa-1,4-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for (2R,5R)-2-(4-bromophenyl)-7-oxa-1,4-diazaspiro[4.4]nonan-3-one is O=C1N[C@@]2(CCOC2)N[C@@H]1c1ccc(Br)cc1.
What is the InChIKey of (2R,5R)-2-(4-bromophenyl)-7-oxa-1,4-diazaspiro[4.4]nonan-3-one?
The InChIKey is KFGBNTAGMFIYLA-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c13-9-3-1-8(2-4-9)10-11(16)15-12(14-10)5-6-17-7-12/h1-4,10,14H,5-7H2,(H,15,16)/t10-,12-/m1/s1.
What are the key properties of (2R,5R)-2-(4-bromophenyl)-7-oxa-1,4-diazaspiro[4.4]nonan-3-one?
(2R,5R)-2-(4-bromophenyl)-7-oxa-1,4-diazaspiro[4.4]nonan-3-one has a molecular weight of 297.15 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(4-bromophenyl)-7-oxa-1,4-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 124583205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).