8-hydroxy-9-methoxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

C10H13NO4 — CID 158984480

IUPAC8-hydroxy-9-methoxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESCOC1C(O)C2CC1C1C(=O)NC(=O)C21
InChIInChI=1S/C10H13NO4/c1-15-8-4-2-3(7(8)12)5-6(4)10(14)11-9(5)13/h3-8,12H,2H2,1H3,(H,11,13,14)
InChIKeyAYKQMKRJXZURTK-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.10
Rot. Bonds1

About 8-hydroxy-9-methoxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

8-hydroxy-9-methoxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 158984480) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 8-hydroxy-9-methoxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name8-hydroxy-9-methoxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID158984480
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name8-hydroxy-9-methoxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESCOC1C(O)C2CC1C1C(=O)NC(=O)C21
InChIInChI=1S/C10H13NO4/c1-15-8-4-2-3(7(8)12)5-6(4)10(14)11-9(5)13/h3-8,12H,2H2,1H3,(H,11,13,14)
InChIKeyAYKQMKRJXZURTK-UHFFFAOYSA-N
XLogP-1.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-9-methoxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of 8-hydroxy-9-methoxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (CID 158984480) is 8-hydroxy-9-methoxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for 8-hydroxy-9-methoxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for 8-hydroxy-9-methoxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is COC1C(O)C2CC1C1C(=O)NC(=O)C21.
What is the InChIKey of 8-hydroxy-9-methoxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is AYKQMKRJXZURTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-15-8-4-2-3(7(8)12)5-6(4)10(14)11-9(5)13/h3-8,12H,2H2,1H3,(H,11,13,14).
What are the key properties of 8-hydroxy-9-methoxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
8-hydroxy-9-methoxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 211.22 g/mol, XLogP of -1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-9-methoxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 158984480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).