5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one

C10H18N2O+2 — CID 3346078

IUPAC5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
SMILESCC12C[NH+]3C[NH+](C1)CC(C)(C3)C2=O
InChIInChI=1S/C10H16N2O/c1-9-3-11-5-10(2,8(9)13)6-12(4-9)7-11/h3-7H2,1-2H3/p+2
InChIKeyXGTRHKDYLMRKHW-UHFFFAOYSA-P
MW182.27 g/mol
LogP-2.66
Rot. Bonds

About 5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one

5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 3346078) has the molecular formula C10H18N2O+2 and a molecular weight of 182.27 g/mol. Its IUPAC name is 5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
PubChem CID3346078
Molecular FormulaC10H18N2O+2
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
SMILESCC12C[NH+]3C[NH+](C1)CC(C)(C3)C2=O
InChIInChI=1S/C10H16N2O/c1-9-3-11-5-10(2,8(9)13)6-12(4-9)7-11/h3-7H2,1-2H3/p+2
InChIKeyXGTRHKDYLMRKHW-UHFFFAOYSA-P
XLogP-2.66
TPSA25.95 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-2.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
CID 7039196
2-[7-(cyanomethyl)-1,5-dimethyl-9-oxo-3,7-diazoniabicyclo[3.3.1]nonan-3-yl]acetonitrile
CID 6947264
1,5-dimethyl-3,7-diazoniabicyclo[3.3.1]nonan-9-one
CID 5062783
1,3,5,7-tetramethyltricyclo[5.1.0.03,5]octane-2,6-dione
CID 535012
2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one
CID 6946481
5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
CID 586797
ethyl 2-[2-(2-ethoxy-2-oxoethyl)-5,7-dimethyl-6-oxo-1,3-diazoniatricyclo[3.3.1.13,7]decan-2-yl]acetate
CID 6966521
5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one
CID 5094874
5,7-dimethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
CID 774622
5,5-dimethyltrioxane-4,6-dione
CID 57073887
2,2,4,4,5,5-hexamethyloxolan-3-one
CID 130031129
1,2,3,4-tetramethylbicyclo[2.1.1]hex-2-ene
CID 123953331

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one (CID 3346078) is 5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one is CC12C[NH+]3C[NH+](C1)CC(C)(C3)C2=O.
What is the InChIKey of 5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is XGTRHKDYLMRKHW-UHFFFAOYSA-P. The full InChI is InChI=1S/C10H16N2O/c1-9-3-11-5-10(2,8(9)13)6-12(4-9)7-11/h3-7H2,1-2H3/p+2.
What are the key properties of 5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one?
5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 182.27 g/mol, XLogP of -2.66, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 3346078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).