6-azadispiro[2.0.34.33]decane-5,7-dione

C9H11NO2 — CID 19899295

IUPAC6-azadispiro[2.0.34.33]decane-5,7-dione
SMILESO=C1NC(=O)C12CCCC21CC1
InChIInChI=1S/C9H11NO2/c11-6-9(7(12)10-6)3-1-2-8(9)4-5-8/h1-5H2,(H,10,11,12)
InChIKeyNFMKIGGUHDPUKT-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.59
Rot. Bonds

About 6-azadispiro[2.0.34.33]decane-5,7-dione

6-azadispiro[2.0.34.33]decane-5,7-dione (PubChem CID 19899295) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 6-azadispiro[2.0.34.33]decane-5,7-dione.

Molecular Properties

Compound Name6-azadispiro[2.0.34.33]decane-5,7-dione
PubChem CID19899295
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name6-azadispiro[2.0.34.33]decane-5,7-dione
SMILESO=C1NC(=O)C12CCCC21CC1
InChIInChI=1S/C9H11NO2/c11-6-9(7(12)10-6)3-1-2-8(9)4-5-8/h1-5H2,(H,10,11,12)
InChIKeyNFMKIGGUHDPUKT-UHFFFAOYSA-N
XLogP0.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-azadispiro[2.0.34.33]decane-5,7-dione?
The IUPAC name of 6-azadispiro[2.0.34.33]decane-5,7-dione (CID 19899295) is 6-azadispiro[2.0.34.33]decane-5,7-dione.
What is the SMILES notation for 6-azadispiro[2.0.34.33]decane-5,7-dione?
The canonical SMILES for 6-azadispiro[2.0.34.33]decane-5,7-dione is O=C1NC(=O)C12CCCC21CC1.
What is the InChIKey of 6-azadispiro[2.0.34.33]decane-5,7-dione?
The InChIKey is NFMKIGGUHDPUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-6-9(7(12)10-6)3-1-2-8(9)4-5-8/h1-5H2,(H,10,11,12).
What are the key properties of 6-azadispiro[2.0.34.33]decane-5,7-dione?
6-azadispiro[2.0.34.33]decane-5,7-dione has a molecular weight of 165.19 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azadispiro[2.0.34.33]decane-5,7-dione is sourced from PubChem (CID 19899295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).