(1R,5R,7R)-8-benzyl-7-methyl-8,10-diazatricyclo[5.2.2.01,5]undecane-9,11-dione

C17H20N2O2 — CID 11243092

IUPAC(1R,5R,7R)-8-benzyl-7-methyl-8,10-diazatricyclo[5.2.2.01,5]undecane-9,11-dione
SMILESC[C@@]12C[C@H]3CCC[C@]3(NC1=O)C(=O)N2Cc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-16-10-13-8-5-9-17(13,18-14(16)20)15(21)19(16)11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,18,20)/t13-,16-,17-/m1/s1
InChIKeyBIFMFOVEONHVQR-KBRIMQKVSA-N
MW284.36 g/mol
LogP1.85
Rot. Bonds2

About (1R,5R,7R)-8-benzyl-7-methyl-8,10-diazatricyclo[5.2.2.01,5]undecane-9,11-dione

(1R,5R,7R)-8-benzyl-7-methyl-8,10-diazatricyclo[5.2.2.01,5]undecane-9,11-dione (PubChem CID 11243092) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (1R,5R,7R)-8-benzyl-7-methyl-8,10-diazatricyclo[5.2.2.01,5]undecane-9,11-dione.

Molecular Properties

Compound Name(1R,5R,7R)-8-benzyl-7-methyl-8,10-diazatricyclo[5.2.2.01,5]undecane-9,11-dione
PubChem CID11243092
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(1R,5R,7R)-8-benzyl-7-methyl-8,10-diazatricyclo[5.2.2.01,5]undecane-9,11-dione
SMILESC[C@@]12C[C@H]3CCC[C@]3(NC1=O)C(=O)N2Cc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-16-10-13-8-5-9-17(13,18-14(16)20)15(21)19(16)11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,18,20)/t13-,16-,17-/m1/s1
InChIKeyBIFMFOVEONHVQR-KBRIMQKVSA-N
XLogP1.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,5R,7R)-8-benzyl-7-methyl-8,10-diazatricyclo[5.2.2.01,5]undecane-9,11-dione with MolForge

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Related Compounds

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(3aS)-4-benzyl-3a-methyl-1,2,3,6,7,8,9,9a-octahydropyrrolo[3,2-b]azocin-5-one
CID 175662479
(1S,5S,7S)-7-methyl-8,10-diazatricyclo[5.2.2.01,5]undecane-9,11-dione
CID 130840841
3-benzyl-2,2-dimethylimidazolidin-4-one
CID 57433089
6-benzyl-4a-methyl-2,3,4,7a-tetrahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 70812884
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CID 97084068
1-benzyl-3-tert-butyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64903052
9-phenylmethoxy-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 75244463
(3R,3aR,6aS)-3-benzyl-6a-hydroxy-3-methyl-3a,4,5,6-tetrahydro-1H-cyclopenta[b]pyrrol-2-one
CID 10014760
1-benzyl-3-cyclopropyl-6-ethyl-6-methylpiperazine-2,5-dione
CID 64887146
1-benzyl-5,5-dimethoxyimidazolidine-2,4-dione
CID 163217166

Frequently Asked Questions

What is the IUPAC name of (1R,5R,7R)-8-benzyl-7-methyl-8,10-diazatricyclo[5.2.2.01,5]undecane-9,11-dione?
The IUPAC name of (1R,5R,7R)-8-benzyl-7-methyl-8,10-diazatricyclo[5.2.2.01,5]undecane-9,11-dione (CID 11243092) is (1R,5R,7R)-8-benzyl-7-methyl-8,10-diazatricyclo[5.2.2.01,5]undecane-9,11-dione.
What is the SMILES notation for (1R,5R,7R)-8-benzyl-7-methyl-8,10-diazatricyclo[5.2.2.01,5]undecane-9,11-dione?
The canonical SMILES for (1R,5R,7R)-8-benzyl-7-methyl-8,10-diazatricyclo[5.2.2.01,5]undecane-9,11-dione is C[C@@]12C[C@H]3CCC[C@]3(NC1=O)C(=O)N2Cc1ccccc1.
What is the InChIKey of (1R,5R,7R)-8-benzyl-7-methyl-8,10-diazatricyclo[5.2.2.01,5]undecane-9,11-dione?
The InChIKey is BIFMFOVEONHVQR-KBRIMQKVSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-16-10-13-8-5-9-17(13,18-14(16)20)15(21)19(16)11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,18,20)/t13-,16-,17-/m1/s1.
What are the key properties of (1R,5R,7R)-8-benzyl-7-methyl-8,10-diazatricyclo[5.2.2.01,5]undecane-9,11-dione?
(1R,5R,7R)-8-benzyl-7-methyl-8,10-diazatricyclo[5.2.2.01,5]undecane-9,11-dione has a molecular weight of 284.36 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,7R)-8-benzyl-7-methyl-8,10-diazatricyclo[5.2.2.01,5]undecane-9,11-dione is sourced from PubChem (CID 11243092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).