5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one

C14H24N2O2+2 — CID 4247916

IUPAC5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one
SMILESCC12C[NH+]3CC(C)(C[NH+](C1)C31CCOCC1)C2=O
InChIInChI=1S/C14H22N2O2/c1-12-7-15-9-13(2,11(12)17)10-16(8-12)14(15)3-5-18-6-4-14/h3-10H2,1-2H3/p+2
InChIKeyZINDLYBAKMXOGI-UHFFFAOYSA-P
MW252.36 g/mol
LogP-2.11
Rot. Bonds

About 5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one

5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one (PubChem CID 4247916) has the molecular formula C14H24N2O2+2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one.

Molecular Properties

Compound Name5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one
PubChem CID4247916
Molecular FormulaC14H24N2O2+2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one
SMILESCC12C[NH+]3CC(C)(C[NH+](C1)C31CCOCC1)C2=O
InChIInChI=1S/C14H22N2O2/c1-12-7-15-9-13(2,11(12)17)10-16(8-12)14(15)3-5-18-6-4-14/h3-10H2,1-2H3/p+2
InChIKeyZINDLYBAKMXOGI-UHFFFAOYSA-P
XLogP-2.11
TPSA35.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 5-2.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one with MolForge

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Related Compounds

Spiro(1,3-diazatricyclo(3.3.1.1(sup 3,7))decane-2,4'-(4H)pyran)-6-one, tetrahydro-2',2',5,7-tetramethyl-
CID 818050
5,7-dimethyltetrahydro-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,4'-pyran]-6-one
CID 753293
Ethyl 2-(2,5,7-trimethyl-6-oxo-1,3-diazoniatricyclo[3.3.1.13,7]decan-2-yl)acetate
CID 1794902
2-Ethyl-2,5,7-trimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
CID 3706691
2,2,5,7-Tetramethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
CID 4104467
2-(2,2-Dimethyloxan-4-yl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
CID 4247517
1',5,7-Trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-piperidin-1-ium]-6-one
CID 4247917
5,7-Dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one
CID 4431661
2-[(4S)-2,2-dimethyloxan-4-yl]-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
CID 6946344
2-[(4R)-2,2-dimethyloxan-4-yl]-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
CID 6946345
2',2',5,7-Tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one
CID 6946481
2,2-Diethyl-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
CID 6946482

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one?
The IUPAC name of 5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one (CID 4247916) is 5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one.
What is the SMILES notation for 5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one?
The canonical SMILES for 5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one is CC12C[NH+]3CC(C)(C[NH+](C1)C31CCOCC1)C2=O.
What is the InChIKey of 5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one?
The InChIKey is ZINDLYBAKMXOGI-UHFFFAOYSA-P. The full InChI is InChI=1S/C14H22N2O2/c1-12-7-15-9-13(2,11(12)17)10-16(8-12)14(15)3-5-18-6-4-14/h3-10H2,1-2H3/p+2.
What are the key properties of 5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one?
5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one has a molecular weight of 252.36 g/mol, XLogP of -2.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one is sourced from PubChem (CID 4247916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).