3,7-diazabicyclo[3.3.1]nonan-9-one

C7H12N2O — CID 19068444

IUPAC3,7-diazabicyclo[3.3.1]nonan-9-one
SMILESO=C1C2CNCC1CNC2
InChIInChI=1S/C7H12N2O/c10-7-5-1-8-3-6(7)4-9-2-5/h5-6,8-9H,1-4H2
InChIKeyIMZCHVIBXLUUCE-UHFFFAOYSA-N
MW140.19 g/mol
LogP-1.01
Rot. Bonds

About 3,7-diazabicyclo[3.3.1]nonan-9-one

3,7-diazabicyclo[3.3.1]nonan-9-one (PubChem CID 19068444) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3,7-diazabicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name3,7-diazabicyclo[3.3.1]nonan-9-one
PubChem CID19068444
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3,7-diazabicyclo[3.3.1]nonan-9-one
SMILESO=C1C2CNCC1CNC2
InChIInChI=1S/C7H12N2O/c10-7-5-1-8-3-6(7)4-9-2-5/h5-6,8-9H,1-4H2
InChIKeyIMZCHVIBXLUUCE-UHFFFAOYSA-N
XLogP-1.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7-diazabicyclo[3.3.1]nonan-9-one?
The IUPAC name of 3,7-diazabicyclo[3.3.1]nonan-9-one (CID 19068444) is 3,7-diazabicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for 3,7-diazabicyclo[3.3.1]nonan-9-one?
The canonical SMILES for 3,7-diazabicyclo[3.3.1]nonan-9-one is O=C1C2CNCC1CNC2.
What is the InChIKey of 3,7-diazabicyclo[3.3.1]nonan-9-one?
The InChIKey is IMZCHVIBXLUUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c10-7-5-1-8-3-6(7)4-9-2-5/h5-6,8-9H,1-4H2.
What are the key properties of 3,7-diazabicyclo[3.3.1]nonan-9-one?
3,7-diazabicyclo[3.3.1]nonan-9-one has a molecular weight of 140.19 g/mol, XLogP of -1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diazabicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 19068444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).