5-methyl-7-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

C12H20N2O — CID 50745243

IUPAC5-methyl-7-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCC(C)C12CN3CN(CC(C)(C3)C1=O)C2
InChIInChI=1S/C12H20N2O/c1-9(2)12-6-13-4-11(3,10(12)15)5-14(7-12)8-13/h9H,4-8H2,1-3H3
InChIKeyYOQMYFLDJNUAIM-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.81
Rot. Bonds1

About 5-methyl-7-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

5-methyl-7-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 50745243) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-methyl-7-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name5-methyl-7-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
PubChem CID50745243
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name5-methyl-7-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCC(C)C12CN3CN(CC(C)(C3)C1=O)C2
InChIInChI=1S/C12H20N2O/c1-9(2)12-6-13-4-11(3,10(12)15)5-14(7-12)8-13/h9H,4-8H2,1-3H3
InChIKeyYOQMYFLDJNUAIM-UHFFFAOYSA-N
XLogP0.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 5-methyl-7-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (CID 50745243) is 5-methyl-7-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 5-methyl-7-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 5-methyl-7-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is CC(C)C12CN3CN(CC(C)(C3)C1=O)C2.
What is the InChIKey of 5-methyl-7-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is YOQMYFLDJNUAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)12-6-13-4-11(3,10(12)15)5-14(7-12)8-13/h9H,4-8H2,1-3H3.
What are the key properties of 5-methyl-7-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
5-methyl-7-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 208.30 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 50745243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).