9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one

C9H16N2O — CID 78149814

IUPAC9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one
SMILESCN1C(=O)C2CCCC1CNC2
InChIInChI=1S/C9H16N2O/c1-11-8-4-2-3-7(9(11)12)5-10-6-8/h7-8,10H,2-6H2,1H3
InChIKeyXVEWOCXKHJFPCH-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.22
Rot. Bonds

About 9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one

9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one (PubChem CID 78149814) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one.

Molecular Properties

Compound Name9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one
PubChem CID78149814
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one
SMILESCN1C(=O)C2CCCC1CNC2
InChIInChI=1S/C9H16N2O/c1-11-8-4-2-3-7(9(11)12)5-10-6-8/h7-8,10H,2-6H2,1H3
InChIKeyXVEWOCXKHJFPCH-UHFFFAOYSA-N
XLogP0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one?
The IUPAC name of 9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one (CID 78149814) is 9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one.
What is the SMILES notation for 9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one?
The canonical SMILES for 9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one is CN1C(=O)C2CCCC1CNC2.
What is the InChIKey of 9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one?
The InChIKey is XVEWOCXKHJFPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-11-8-4-2-3-7(9(11)12)5-10-6-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one?
9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one has a molecular weight of 168.24 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one is sourced from PubChem (CID 78149814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).