5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

C10H16N2O — CID 586797

IUPAC5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCC12CN3CN(C1)CC(C)(C3)C2=O
InChIInChI=1S/C10H16N2O/c1-9-3-11-5-10(2,8(9)13)6-12(4-9)7-11/h3-7H2,1-2H3
InChIKeyXGTRHKDYLMRKHW-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.17
Rot. Bonds

About 5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 586797) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
PubChem CID586797
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCC12CN3CN(C1)CC(C)(C3)C2=O
InChIInChI=1S/C10H16N2O/c1-9-3-11-5-10(2,8(9)13)6-12(4-9)7-11/h3-7H2,1-2H3
InChIKeyXGTRHKDYLMRKHW-UHFFFAOYSA-N
XLogP0.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (CID 586797) is 5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is CC12CN3CN(C1)CC(C)(C3)C2=O.
What is the InChIKey of 5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is XGTRHKDYLMRKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-9-3-11-5-10(2,8(9)13)6-12(4-9)7-11/h3-7H2,1-2H3.
What are the key properties of 5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 180.25 g/mol, XLogP of 0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 586797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).