8-hydroxy-2-(9H-xanthene-9-carbonyl)-2,6-diazaspiro[3.5]nonan-5-one

C21H20N2O4 — CID 166263201

IUPAC8-hydroxy-2-(9H-xanthene-9-carbonyl)-2,6-diazaspiro[3.5]nonan-5-one
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1CC2(CC(O)CNC2=O)C1
InChIInChI=1S/C21H20N2O4/c24-13-9-21(20(26)22-10-13)11-23(12-21)19(25)18-14-5-1-3-7-16(14)27-17-8-4-2-6-15(17)18/h1-8,13,18,24H,9-12H2,(H,22,26)
InChIKeyFGLMGIWTWGDCSU-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.63
Rot. Bonds1

About 8-hydroxy-2-(9H-xanthene-9-carbonyl)-2,6-diazaspiro[3.5]nonan-5-one

8-hydroxy-2-(9H-xanthene-9-carbonyl)-2,6-diazaspiro[3.5]nonan-5-one (PubChem CID 166263201) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 8-hydroxy-2-(9H-xanthene-9-carbonyl)-2,6-diazaspiro[3.5]nonan-5-one.

Molecular Properties

Compound Name8-hydroxy-2-(9H-xanthene-9-carbonyl)-2,6-diazaspiro[3.5]nonan-5-one
PubChem CID166263201
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name8-hydroxy-2-(9H-xanthene-9-carbonyl)-2,6-diazaspiro[3.5]nonan-5-one
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1CC2(CC(O)CNC2=O)C1
InChIInChI=1S/C21H20N2O4/c24-13-9-21(20(26)22-10-13)11-23(12-21)19(25)18-14-5-1-3-7-16(14)27-17-8-4-2-6-15(17)18/h1-8,13,18,24H,9-12H2,(H,22,26)
InChIKeyFGLMGIWTWGDCSU-UHFFFAOYSA-N
XLogP1.63
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-(9H-xanthene-9-carbonyl)-2,6-diazaspiro[3.5]nonan-5-one?
The IUPAC name of 8-hydroxy-2-(9H-xanthene-9-carbonyl)-2,6-diazaspiro[3.5]nonan-5-one (CID 166263201) is 8-hydroxy-2-(9H-xanthene-9-carbonyl)-2,6-diazaspiro[3.5]nonan-5-one.
What is the SMILES notation for 8-hydroxy-2-(9H-xanthene-9-carbonyl)-2,6-diazaspiro[3.5]nonan-5-one?
The canonical SMILES for 8-hydroxy-2-(9H-xanthene-9-carbonyl)-2,6-diazaspiro[3.5]nonan-5-one is O=C(C1c2ccccc2Oc2ccccc21)N1CC2(CC(O)CNC2=O)C1.
What is the InChIKey of 8-hydroxy-2-(9H-xanthene-9-carbonyl)-2,6-diazaspiro[3.5]nonan-5-one?
The InChIKey is FGLMGIWTWGDCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-13-9-21(20(26)22-10-13)11-23(12-21)19(25)18-14-5-1-3-7-16(14)27-17-8-4-2-6-15(17)18/h1-8,13,18,24H,9-12H2,(H,22,26).
What are the key properties of 8-hydroxy-2-(9H-xanthene-9-carbonyl)-2,6-diazaspiro[3.5]nonan-5-one?
8-hydroxy-2-(9H-xanthene-9-carbonyl)-2,6-diazaspiro[3.5]nonan-5-one has a molecular weight of 364.40 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-(9H-xanthene-9-carbonyl)-2,6-diazaspiro[3.5]nonan-5-one is sourced from PubChem (CID 166263201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).