methyl 8,10-dioxo-7-azadispiro[2.0.24.43]decane-9-carboxylate

C11H13NO4 — CID 59558623

IUPACmethyl 8,10-dioxo-7-azadispiro[2.0.24.43]decane-9-carboxylate
SMILESCOC(=O)C1C(=O)NC2(CC2)C2(CC2)C1=O
InChIInChI=1S/C11H13NO4/c1-16-9(15)6-7(13)10(2-3-10)11(4-5-11)12-8(6)14/h6H,2-5H2,1H3,(H,12,14)
InChIKeyIXMXIWJRDQTXCO-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.21
Rot. Bonds1

About methyl 8,10-dioxo-7-azadispiro[2.0.24.43]decane-9-carboxylate

methyl 8,10-dioxo-7-azadispiro[2.0.24.43]decane-9-carboxylate (PubChem CID 59558623) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 8,10-dioxo-7-azadispiro[2.0.24.43]decane-9-carboxylate.

Molecular Properties

Compound Namemethyl 8,10-dioxo-7-azadispiro[2.0.24.43]decane-9-carboxylate
PubChem CID59558623
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namemethyl 8,10-dioxo-7-azadispiro[2.0.24.43]decane-9-carboxylate
SMILESCOC(=O)C1C(=O)NC2(CC2)C2(CC2)C1=O
InChIInChI=1S/C11H13NO4/c1-16-9(15)6-7(13)10(2-3-10)11(4-5-11)12-8(6)14/h6H,2-5H2,1H3,(H,12,14)
InChIKeyIXMXIWJRDQTXCO-UHFFFAOYSA-N
XLogP-0.21
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 8,10-dioxo-7-azadispiro[2.0.24.43]decane-9-carboxylate?
The IUPAC name of methyl 8,10-dioxo-7-azadispiro[2.0.24.43]decane-9-carboxylate (CID 59558623) is methyl 8,10-dioxo-7-azadispiro[2.0.24.43]decane-9-carboxylate.
What is the SMILES notation for methyl 8,10-dioxo-7-azadispiro[2.0.24.43]decane-9-carboxylate?
The canonical SMILES for methyl 8,10-dioxo-7-azadispiro[2.0.24.43]decane-9-carboxylate is COC(=O)C1C(=O)NC2(CC2)C2(CC2)C1=O.
What is the InChIKey of methyl 8,10-dioxo-7-azadispiro[2.0.24.43]decane-9-carboxylate?
The InChIKey is IXMXIWJRDQTXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-16-9(15)6-7(13)10(2-3-10)11(4-5-11)12-8(6)14/h6H,2-5H2,1H3,(H,12,14).
What are the key properties of methyl 8,10-dioxo-7-azadispiro[2.0.24.43]decane-9-carboxylate?
methyl 8,10-dioxo-7-azadispiro[2.0.24.43]decane-9-carboxylate has a molecular weight of 223.23 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8,10-dioxo-7-azadispiro[2.0.24.43]decane-9-carboxylate is sourced from PubChem (CID 59558623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).