11-oxido-8,13-dioxa-11-azatetracyclo[4.3.3.12,5.01,6]tridecane-7,9-dione

C10H10NO5- — CID 163840762

IUPAC11-oxido-8,13-dioxa-11-azatetracyclo[4.3.3.12,5.01,6]tridecane-7,9-dione
SMILESO=C1OC(=O)C23CN([O-])CC12C1CCC3O1
InChIInChI=1S/C10H10NO5/c12-7-9-3-11(14)4-10(9,8(13)16-7)6-2-1-5(9)15-6/h5-6H,1-4H2/q-1
InChIKeyLYLXDWPYKVMPJC-UHFFFAOYSA-N
MW224.19 g/mol
LogP-0.58
Rot. Bonds

About 11-oxido-8,13-dioxa-11-azatetracyclo[4.3.3.12,5.01,6]tridecane-7,9-dione

11-oxido-8,13-dioxa-11-azatetracyclo[4.3.3.12,5.01,6]tridecane-7,9-dione (PubChem CID 163840762) has the molecular formula C10H10NO5- and a molecular weight of 224.19 g/mol. Its IUPAC name is 11-oxido-8,13-dioxa-11-azatetracyclo[4.3.3.12,5.01,6]tridecane-7,9-dione.

Molecular Properties

Compound Name11-oxido-8,13-dioxa-11-azatetracyclo[4.3.3.12,5.01,6]tridecane-7,9-dione
PubChem CID163840762
Molecular FormulaC10H10NO5-
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC Name11-oxido-8,13-dioxa-11-azatetracyclo[4.3.3.12,5.01,6]tridecane-7,9-dione
SMILESO=C1OC(=O)C23CN([O-])CC12C1CCC3O1
InChIInChI=1S/C10H10NO5/c12-7-9-3-11(14)4-10(9,8(13)16-7)6-2-1-5(9)15-6/h5-6H,1-4H2/q-1
InChIKeyLYLXDWPYKVMPJC-UHFFFAOYSA-N
XLogP-0.58
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 11-oxido-8,13-dioxa-11-azatetracyclo[4.3.3.12,5.01,6]tridecane-7,9-dione with MolForge

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Related Compounds

8,13-dioxa-11-thiatetracyclo[4.3.3.12,5.01,6]tridecane-7,9-dione;8,13-dioxa-11-thiatetracyclo[4.3.3.12,5.01,6]tridec-3-ene-7,9-dione
CID 159702936
spiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxetane]-2',4'-dione
CID 174808889
(1R,2S,6R,7S)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione;2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 86676020
4,6-dihydrothieno[3,4-c]furan-1,3-dione;2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione;bis(8,13-dioxa-11-thiatetracyclo[4.3.3.12,5.01,6]tridec-3-ene-7,9-dione);furan;methane;sulfane
CID 159648237
(3aS,4S,7S,7aR)-2,3a,7a-trimethyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 57329903
(1R,2R,6R,7S)-2-methyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 97046965
(1S,2R,6S,7R)-2,6-dimethyl-10-oxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 91586790
2-methoxy-3a,7a-dimethyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 121264047
(3aS,4R,7S,7aR)-2-[3-[(3aS,4R,7S,7aR)-3a,7a-dimethyl-1,3-dioxo-4,5,6,7-tetrahydro-4,7-epoxyisoindol-2-yl]propyl]-3a,7a-dimethyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 102145861
(1R,2R,4S)-spiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione
CID 131985112
(1R,2S,6R,7S)-2,6-dimethyl-5-pyridin-4-ylimino-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
CID 71480893
(1R,2S,6R,7S)-5-hydroxy-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
CID 137387961

Frequently Asked Questions

What is the IUPAC name of 11-oxido-8,13-dioxa-11-azatetracyclo[4.3.3.12,5.01,6]tridecane-7,9-dione?
The IUPAC name of 11-oxido-8,13-dioxa-11-azatetracyclo[4.3.3.12,5.01,6]tridecane-7,9-dione (CID 163840762) is 11-oxido-8,13-dioxa-11-azatetracyclo[4.3.3.12,5.01,6]tridecane-7,9-dione.
What is the SMILES notation for 11-oxido-8,13-dioxa-11-azatetracyclo[4.3.3.12,5.01,6]tridecane-7,9-dione?
The canonical SMILES for 11-oxido-8,13-dioxa-11-azatetracyclo[4.3.3.12,5.01,6]tridecane-7,9-dione is O=C1OC(=O)C23CN([O-])CC12C1CCC3O1.
What is the InChIKey of 11-oxido-8,13-dioxa-11-azatetracyclo[4.3.3.12,5.01,6]tridecane-7,9-dione?
The InChIKey is LYLXDWPYKVMPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10NO5/c12-7-9-3-11(14)4-10(9,8(13)16-7)6-2-1-5(9)15-6/h5-6H,1-4H2/q-1.
What are the key properties of 11-oxido-8,13-dioxa-11-azatetracyclo[4.3.3.12,5.01,6]tridecane-7,9-dione?
11-oxido-8,13-dioxa-11-azatetracyclo[4.3.3.12,5.01,6]tridecane-7,9-dione has a molecular weight of 224.19 g/mol, XLogP of -0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxido-8,13-dioxa-11-azatetracyclo[4.3.3.12,5.01,6]tridecane-7,9-dione is sourced from PubChem (CID 163840762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).