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

C16H28N2O2+2 — CID 6946481

IUPAC2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one
SMILESCC1(C)CC2(CCO1)[NH+]1CC3(C)C[NH+]2CC(C)(C1)C3=O
InChIInChI=1S/C16H26N2O2/c1-13(2)7-16(5-6-20-13)17-8-14(3)9-18(16)11-15(4,10-17)12(14)19/h5-11H2,1-4H3/p+2
InChIKeyWQRVDNZVISFEBP-UHFFFAOYSA-P
MW280.41 g/mol
LogP-1.34
Rot. Bonds

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

2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one (PubChem CID 6946481) has the molecular formula C16H28N2O2+2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one.

Molecular Properties

Compound Name2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one
PubChem CID6946481
Molecular FormulaC16H28N2O2+2
Molecular Weight280.41 g/mol
Exact Mass280.21
IUPAC Name2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one
SMILESCC1(C)CC2(CCO1)[NH+]1CC3(C)C[NH+]2CC(C)(C1)C3=O
InChIInChI=1S/C16H26N2O2/c1-13(2)7-16(5-6-20-13)17-8-14(3)9-18(16)11-15(4,10-17)12(14)19/h5-11H2,1-4H3/p+2
InChIKeyWQRVDNZVISFEBP-UHFFFAOYSA-P
XLogP-1.34
TPSA35.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(1r,5R,7S)-2-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-5,7-dimethyl-1,3-diazaadamantan-6-one
CID 651905
5,7-dimethyltetrahydro-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,4'-pyran]-6-one
CID 753293
2',2'-Dimethyl-5,7-dipropyltetrahydro-1,3-diazaspiro[adamantane-2,4'-pyran]-6-one
CID 176453100
2-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
CID 42648031
2-[(4R)-2,2-dimethyloxan-4-yl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
CID 817035
2-[(4S)-2,2-dimethyloxan-4-yl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
CID 817036
Ethyl 2-(2,5,7-trimethyl-6-oxo-1,3-diazoniatricyclo[3.3.1.13,7]decan-2-yl)acetate
CID 1794902
2-(2,2-Dimethyloxan-4-yl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
CID 4247517
5,7-Dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one
CID 4247916
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

Frequently Asked Questions

What is the IUPAC name of 2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one?
The IUPAC name of 2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one (CID 6946481) is 2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one.
What is the SMILES notation for 2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one?
The canonical SMILES for 2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one is CC1(C)CC2(CCO1)[NH+]1CC3(C)C[NH+]2CC(C)(C1)C3=O.
What is the InChIKey of 2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one?
The InChIKey is WQRVDNZVISFEBP-UHFFFAOYSA-P. The full InChI is InChI=1S/C16H26N2O2/c1-13(2)7-16(5-6-20-13)17-8-14(3)9-18(16)11-15(4,10-17)12(14)19/h5-11H2,1-4H3/p+2.
What are the key properties of 2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one?
2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one has a molecular weight of 280.41 g/mol, XLogP of -1.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one is sourced from PubChem (CID 6946481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).