9-benzyl-7-azaspiro[3.5]nonane-6,8-dione

C15H17NO2 — CID 79317706

IUPAC9-benzyl-7-azaspiro[3.5]nonane-6,8-dione
SMILESO=C1CC2(CCC2)C(Cc2ccccc2)C(=O)N1
InChIInChI=1S/C15H17NO2/c17-13-10-15(7-4-8-15)12(14(18)16-13)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,17,18)
InChIKeyJKIKSVVNAHTNRK-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.06
Rot. Bonds2

About 9-benzyl-7-azaspiro[3.5]nonane-6,8-dione

9-benzyl-7-azaspiro[3.5]nonane-6,8-dione (PubChem CID 79317706) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 9-benzyl-7-azaspiro[3.5]nonane-6,8-dione.

Molecular Properties

Compound Name9-benzyl-7-azaspiro[3.5]nonane-6,8-dione
PubChem CID79317706
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name9-benzyl-7-azaspiro[3.5]nonane-6,8-dione
SMILESO=C1CC2(CCC2)C(Cc2ccccc2)C(=O)N1
InChIInChI=1S/C15H17NO2/c17-13-10-15(7-4-8-15)12(14(18)16-13)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,17,18)
InChIKeyJKIKSVVNAHTNRK-UHFFFAOYSA-N
XLogP2.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.06
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

9-benzyl-2-methyl-7-azaspiro[3.5]nonane-6,8-dione
CID 103565591
3-benzyl-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione
CID 79317625
3-benzyl-4-cyclopropyl-4-ethylpiperidine-2,6-dione
CID 79318412
2-benzyl-11-methyl-2,9-diazaspiro[5.5]undecane-8,10-dione
CID 79309828
1-benzyl-7-thia-2-azaspiro[4.4]nonan-3-one
CID 66103043
1-benzyl-7-methoxy-2-azaspiro[4.5]decan-3-one
CID 106874746
10-(2-bromophenyl)-8-azaspiro[4.5]decane-7,9-dione
CID 79454503
1-benzyl-7,7-dimethyl-9-thia-2-azaspiro[4.5]decan-3-one
CID 79946327
10-ethyl-5-(2-methylpropyl)-3,10-diazaspiro[5.6]dodecane-2,4-dione
CID 79317646
5-(2-fluorophenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione
CID 79437498
6-phenyl-2-oxa-8-azaspiro[4.5]decane-7,9-dione
CID 79320778
11-ethyl-2,2-dioxo-2λ6-thia-9-azaspiro[5.5]undecane-8,10-dione
CID 79320480

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-7-azaspiro[3.5]nonane-6,8-dione?
The IUPAC name of 9-benzyl-7-azaspiro[3.5]nonane-6,8-dione (CID 79317706) is 9-benzyl-7-azaspiro[3.5]nonane-6,8-dione.
What is the SMILES notation for 9-benzyl-7-azaspiro[3.5]nonane-6,8-dione?
The canonical SMILES for 9-benzyl-7-azaspiro[3.5]nonane-6,8-dione is O=C1CC2(CCC2)C(Cc2ccccc2)C(=O)N1.
What is the InChIKey of 9-benzyl-7-azaspiro[3.5]nonane-6,8-dione?
The InChIKey is JKIKSVVNAHTNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c17-13-10-15(7-4-8-15)12(14(18)16-13)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,17,18).
What are the key properties of 9-benzyl-7-azaspiro[3.5]nonane-6,8-dione?
9-benzyl-7-azaspiro[3.5]nonane-6,8-dione has a molecular weight of 243.31 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-7-azaspiro[3.5]nonane-6,8-dione is sourced from PubChem (CID 79317706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).