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

C14H22N2O2 — CID 753293

IUPAC5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one
SMILESCC12CN3CC(C)(CN(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
InChIKeyZINDLYBAKMXOGI-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.72
Rot. Bonds

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

5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one (PubChem CID 753293) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one.

Molecular Properties

Compound Name5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one
PubChem CID753293
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one
SMILESCC12CN3CC(C)(CN(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
InChIKeyZINDLYBAKMXOGI-UHFFFAOYSA-N
XLogP0.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one?
The IUPAC name of 5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one (CID 753293) is 5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one.
What is the SMILES notation for 5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one?
The canonical SMILES for 5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one is CC12CN3CC(C)(CN(C1)C31CCOCC1)C2=O.
What is the InChIKey of 5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one?
The InChIKey is ZINDLYBAKMXOGI-UHFFFAOYSA-N. 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.
What are the key properties of 5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one?
5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one has a molecular weight of 250.34 g/mol, XLogP of 0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one is sourced from PubChem (CID 753293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).