8-benzyl-6-methyl-6,8-diazabicyclo[3.2.2]nonane-2,7,9-trione

C15H16N2O3 — CID 102005135

IUPAC8-benzyl-6-methyl-6,8-diazabicyclo[3.2.2]nonane-2,7,9-trione
SMILESCN1C(=O)C2C(=O)CCC1C(=O)N2Cc1ccccc1
InChIInChI=1S/C15H16N2O3/c1-16-11-7-8-12(18)13(15(16)20)17(14(11)19)9-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3
InChIKeyQXIDOCZSBQACJJ-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.59
Rot. Bonds2

About 8-benzyl-6-methyl-6,8-diazabicyclo[3.2.2]nonane-2,7,9-trione

8-benzyl-6-methyl-6,8-diazabicyclo[3.2.2]nonane-2,7,9-trione (PubChem CID 102005135) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 8-benzyl-6-methyl-6,8-diazabicyclo[3.2.2]nonane-2,7,9-trione.

Molecular Properties

Compound Name8-benzyl-6-methyl-6,8-diazabicyclo[3.2.2]nonane-2,7,9-trione
PubChem CID102005135
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name8-benzyl-6-methyl-6,8-diazabicyclo[3.2.2]nonane-2,7,9-trione
SMILESCN1C(=O)C2C(=O)CCC1C(=O)N2Cc1ccccc1
InChIInChI=1S/C15H16N2O3/c1-16-11-7-8-12(18)13(15(16)20)17(14(11)19)9-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3
InChIKeyQXIDOCZSBQACJJ-UHFFFAOYSA-N
XLogP0.59
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,5S)-3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione
CID 98056412
1-benzyl-4-phenylazetidin-2-one;ethane
CID 91301101
2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
CID 86091539
1-benzyl-5-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidin-2-one
CID 132510401
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-one
CID 10680204
4-benzyl-2,5-dimethylmorpholin-3-one
CID 123662409
1,4-dibenzyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
CID 66575696
5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 173311481
(1S,6R)-7-benzyl-7-azabicyclo[4.2.0]octan-8-one
CID 14190975
(3R,4S)-1-benzyl-3,4-diethylazetidin-2-one
CID 45095274
1-benzyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
CID 11264715
(5S)-1-benzyl-5-tert-butylpyrrolidin-2-one
CID 141337970

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-6-methyl-6,8-diazabicyclo[3.2.2]nonane-2,7,9-trione?
The IUPAC name of 8-benzyl-6-methyl-6,8-diazabicyclo[3.2.2]nonane-2,7,9-trione (CID 102005135) is 8-benzyl-6-methyl-6,8-diazabicyclo[3.2.2]nonane-2,7,9-trione.
What is the SMILES notation for 8-benzyl-6-methyl-6,8-diazabicyclo[3.2.2]nonane-2,7,9-trione?
The canonical SMILES for 8-benzyl-6-methyl-6,8-diazabicyclo[3.2.2]nonane-2,7,9-trione is CN1C(=O)C2C(=O)CCC1C(=O)N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-6-methyl-6,8-diazabicyclo[3.2.2]nonane-2,7,9-trione?
The InChIKey is QXIDOCZSBQACJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-16-11-7-8-12(18)13(15(16)20)17(14(11)19)9-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3.
What are the key properties of 8-benzyl-6-methyl-6,8-diazabicyclo[3.2.2]nonane-2,7,9-trione?
8-benzyl-6-methyl-6,8-diazabicyclo[3.2.2]nonane-2,7,9-trione has a molecular weight of 272.30 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-6-methyl-6,8-diazabicyclo[3.2.2]nonane-2,7,9-trione is sourced from PubChem (CID 102005135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).