(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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Related Compounds

2-(4-bromophenyl)-7-oxa-1,4-diazaspiro[4.4]nonan-3-one;3-(4-bromophenyl)-7-oxa-1,4-diazaspiro[4.4]non-3-en-2-one;1-bromopyrrole-2,5-dione
CID 162107487
6-(4-bromophenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione
CID 79435278
2-(4-bromophenyl)-1,4-diazaspiro[4.4]nonan-3-one;3-(4-bromophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one
CID 158589829
(2S)-2-(3-bromophenyl)-1,4-diazaspiro[4.4]nonan-3-one
CID 86334224
(2R)-2-(4-methoxyphenyl)-1,4-diazaspiro[4.4]nonan-3-one
CID 97179322
(2S)-2-(4-bromo-2-fluorophenyl)-1,4-diazaspiro[4.4]nonan-3-one
CID 86334216
(5S,8R)-8-(4-bromophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 71083946
3-(4-bromophenyl)-4-(oxan-4-yl)piperidine-2,6-dione
CID 79429874
4-(4-bromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64962592
5-(4-bromophenyl)-3,3-dimethylmorpholine
CID 82305856
(3R)-3-(4-bromophenyl)oxolane
CID 95731213
3-(4-bromophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]cyclobutan-1-amine
CID 104759771

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).