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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6,6-dimethyl-2,4-dioxopiperidine-3-carboxylate
CID 19898238
ethyl 8-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate
CID 123163602
methyl (3S)-4,4-dimethyl-2-oxopyrrolidine-3-carboxylate
CID 97292714
methyl 5-methyl-2,4-dioxopyrrolidine-3-carboxylate
CID 126971567
methyl (3S,4R)-2-oxo-4-propan-2-ylpyrrolidine-3-carboxylate
CID 95986853
methyl (3R,4S)-2-oxo-4-propan-2-ylpyrrolidine-3-carboxylate
CID 95986850
sodium;hydride;methyl 4,4-dimethyl-2,6-dioxocyclohexane-1-carboxylate
CID 173414595
methyl 1-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate
CID 141344203
4-methoxycarbonyl-5-oxopyrrolidine-3-carboxylic acid
CID 121340104
methyl (2S)-aziridine-2-carboxylate
CID 10329257
dimethyl (1R,2S,4R,5R)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2,4-dicarboxylate
CID 98060994
methyl 2,4-dioxooxolane-3-carboxylate
CID 50924417

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).