9-azaspiro[6.10]heptadecane-8,10-dione

C16H27NO2 — CID 69440147

IUPAC9-azaspiro[6.10]heptadecane-8,10-dione
SMILESO=C1CCCCCCCC2(CCCCCC2)C(=O)N1
InChIInChI=1S/C16H27NO2/c18-14-10-6-2-1-3-7-11-16(15(19)17-14)12-8-4-5-9-13-16/h1-13H2,(H,17,18,19)
InChIKeySMOPZQITLXJFPT-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.71
Rot. Bonds

About 9-azaspiro[6.10]heptadecane-8,10-dione

9-azaspiro[6.10]heptadecane-8,10-dione (PubChem CID 69440147) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 9-azaspiro[6.10]heptadecane-8,10-dione.

Molecular Properties

Compound Name9-azaspiro[6.10]heptadecane-8,10-dione
PubChem CID69440147
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name9-azaspiro[6.10]heptadecane-8,10-dione
SMILESO=C1CCCCCCCC2(CCCCCC2)C(=O)N1
InChIInChI=1S/C16H27NO2/c18-14-10-6-2-1-3-7-11-16(15(19)17-14)12-8-4-5-9-13-16/h1-13H2,(H,17,18,19)
InChIKeySMOPZQITLXJFPT-UHFFFAOYSA-N
XLogP3.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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1,3-diazonane-2,4,9-trione;dihydrate
CID 160784508
sodium piperidine-2,6-dione
CID 22619648
2,13-diazaspiro[6.8]pentadecan-1-one
CID 175637955
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CID 57173865
spiro[2.7]decan-9-one
CID 130028945
spiro[5.6]dodecane-5,12-dione
CID 534624
azocan-2-one
CID 12657
azacyclotetracosan-2-one
CID 102100276
azepan-2-one;cyclohexane
CID 70248400

Frequently Asked Questions

What is the IUPAC name of 9-azaspiro[6.10]heptadecane-8,10-dione?
The IUPAC name of 9-azaspiro[6.10]heptadecane-8,10-dione (CID 69440147) is 9-azaspiro[6.10]heptadecane-8,10-dione.
What is the SMILES notation for 9-azaspiro[6.10]heptadecane-8,10-dione?
The canonical SMILES for 9-azaspiro[6.10]heptadecane-8,10-dione is O=C1CCCCCCCC2(CCCCCC2)C(=O)N1.
What is the InChIKey of 9-azaspiro[6.10]heptadecane-8,10-dione?
The InChIKey is SMOPZQITLXJFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c18-14-10-6-2-1-3-7-11-16(15(19)17-14)12-8-4-5-9-13-16/h1-13H2,(H,17,18,19).
What are the key properties of 9-azaspiro[6.10]heptadecane-8,10-dione?
9-azaspiro[6.10]heptadecane-8,10-dione has a molecular weight of 265.40 g/mol, XLogP of 3.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azaspiro[6.10]heptadecane-8,10-dione is sourced from PubChem (CID 69440147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).