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

C16H26N2O2 — CID 818050

IUPAC2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one
SMILESCC1(C)CC2(CCO1)N1CC3(C)CN2CC(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
InChIKeyWQRVDNZVISFEBP-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.50
Rot. Bonds

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

2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one (PubChem CID 818050) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one.

Molecular Properties

Compound Name2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one
PubChem CID818050
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one
SMILESCC1(C)CC2(CCO1)N1CC3(C)CN2CC(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
InChIKeyWQRVDNZVISFEBP-UHFFFAOYSA-N
XLogP1.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2',2',5,7-tetramethylspiro[1,3-diazatricyclo[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

Frequently Asked Questions

What is the IUPAC name of 2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one?
The IUPAC name of 2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one (CID 818050) is 2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one.
What is the SMILES notation for 2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one?
The canonical SMILES for 2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one is CC1(C)CC2(CCO1)N1CC3(C)CN2CC(C)(C1)C3=O.
What is the InChIKey of 2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one?
The InChIKey is WQRVDNZVISFEBP-UHFFFAOYSA-N. 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.
What are the key properties of 2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one?
2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one has a molecular weight of 278.40 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one is sourced from PubChem (CID 818050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).