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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Related Compounds

4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
CID 142165560
8-hydroxy-4-(2-hydroxyphenyl)-9-methoxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 2843875
(1S,2R,6S,7S,8R,9S)-8-hydroxy-4-(2-hydroxyphenyl)-9-methoxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 124753728
8-hydroxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 58279952
(6-methoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) acetate
CID 58843012
5-methoxytetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 70849409
(2S,3R,4R,8S,9S,10R,12S,13R,14R,18S,19S,20R)-1,11-bis(trifluoromethyl)-21-oxa-6,16-diazaoctacyclo[9.9.1.13,9.113,19.02,10.04,8.012,20.014,18]tricosane-5,7,15,17-tetrone
CID 101066684
(1R,2R,3R,7R,8R,9R,10R,14R)-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadecane-4,6,11,13-tetrone
CID 98550731
(1R,2R,3R,7R,8S,9R,10R,14R)-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadecane-4,6,11,13-tetrone
CID 98550735
8,9-dimethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 58868408
ethanone;(9-methoxy-3,5-dioxo-4-azanidatricyclo[5.2.1.02,6]decan-8-yl) acetate;yttrium
CID 58843021
5-methoxy-1,3-diazinane-2,4,6-trione
CID 15001716

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).