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

C9H14N2O — CID 580197

IUPAC5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCC12CN3CC(CN(C3)C1)C2=O
InChIInChI=1S/C9H14N2O/c1-9-4-10-2-7(8(9)12)3-11(5-9)6-10/h7H,2-6H2,1H3
InChIKeyYDUCEQRBZCUYSF-UHFFFAOYSA-N
MW166.22 g/mol
LogP-0.22
Rot. Bonds

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

5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 580197) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
PubChem CID580197
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCC12CN3CC(CN(C3)C1)C2=O
InChIInChI=1S/C9H14N2O/c1-9-4-10-2-7(8(9)12)3-11(5-9)6-10/h7H,2-6H2,1H3
InChIKeyYDUCEQRBZCUYSF-UHFFFAOYSA-N
XLogP-0.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (CID 580197) is 5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is CC12CN3CC(CN(C3)C1)C2=O.
What is the InChIKey of 5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is YDUCEQRBZCUYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-9-4-10-2-7(8(9)12)3-11(5-9)6-10/h7H,2-6H2,1H3.
What are the key properties of 5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 166.22 g/mol, XLogP of -0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 580197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).