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

C15H24N2O — CID 689311

IUPAC5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one
SMILESCC12CN3CC(C)(CN(C1)C31CCCCC1)C2=O
InChIInChI=1S/C15H24N2O/c1-13-8-16-10-14(2,12(13)18)11-17(9-13)15(16)6-4-3-5-7-15/h3-11H2,1-2H3
InChIKeyCMGPXQNXFMPPFA-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.87
Rot. Bonds

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

5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one (PubChem CID 689311) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one.

Molecular Properties

Compound Name5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one
PubChem CID689311
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one
SMILESCC12CN3CC(C)(CN(C1)C31CCCCC1)C2=O
InChIInChI=1S/C15H24N2O/c1-13-8-16-10-14(2,12(13)18)11-17(9-13)15(16)6-4-3-5-7-15/h3-11H2,1-2H3
InChIKeyCMGPXQNXFMPPFA-UHFFFAOYSA-N
XLogP1.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-2,1'-cyclohexane]-6-one?
The IUPAC name of 5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one (CID 689311) is 5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one.
What is the SMILES notation for 5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one?
The canonical SMILES for 5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one is CC12CN3CC(C)(CN(C1)C31CCCCC1)C2=O.
What is the InChIKey of 5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one?
The InChIKey is CMGPXQNXFMPPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13-8-16-10-14(2,12(13)18)11-17(9-13)15(16)6-4-3-5-7-15/h3-11H2,1-2H3.
What are the key properties of 5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one?
5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one has a molecular weight of 248.37 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one is sourced from PubChem (CID 689311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).