3-methyl-3,7-diazabicyclo[3.3.1]nonan-2-one

C8H14N2O — CID 84650003

IUPAC3-methyl-3,7-diazabicyclo[3.3.1]nonan-2-one
SMILESCN1CC2CNCC(C2)C1=O
InChIInChI=1S/C8H14N2O/c1-10-5-6-2-7(8(10)11)4-9-3-6/h6-7,9H,2-5H2,1H3
InChIKeyCFSNMWFIAPSNFR-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.32
Rot. Bonds

About 3-methyl-3,7-diazabicyclo[3.3.1]nonan-2-one

3-methyl-3,7-diazabicyclo[3.3.1]nonan-2-one (PubChem CID 84650003) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-methyl-3,7-diazabicyclo[3.3.1]nonan-2-one.

Molecular Properties

Compound Name3-methyl-3,7-diazabicyclo[3.3.1]nonan-2-one
PubChem CID84650003
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-methyl-3,7-diazabicyclo[3.3.1]nonan-2-one
SMILESCN1CC2CNCC(C2)C1=O
InChIInChI=1S/C8H14N2O/c1-10-5-6-2-7(8(10)11)4-9-3-6/h6-7,9H,2-5H2,1H3
InChIKeyCFSNMWFIAPSNFR-UHFFFAOYSA-N
XLogP-0.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,7-diazabicyclo[3.3.1]nonan-2-one?
The IUPAC name of 3-methyl-3,7-diazabicyclo[3.3.1]nonan-2-one (CID 84650003) is 3-methyl-3,7-diazabicyclo[3.3.1]nonan-2-one.
What is the SMILES notation for 3-methyl-3,7-diazabicyclo[3.3.1]nonan-2-one?
The canonical SMILES for 3-methyl-3,7-diazabicyclo[3.3.1]nonan-2-one is CN1CC2CNCC(C2)C1=O.
What is the InChIKey of 3-methyl-3,7-diazabicyclo[3.3.1]nonan-2-one?
The InChIKey is CFSNMWFIAPSNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-10-5-6-2-7(8(10)11)4-9-3-6/h6-7,9H,2-5H2,1H3.
What are the key properties of 3-methyl-3,7-diazabicyclo[3.3.1]nonan-2-one?
3-methyl-3,7-diazabicyclo[3.3.1]nonan-2-one has a molecular weight of 154.21 g/mol, XLogP of -0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,7-diazabicyclo[3.3.1]nonan-2-one is sourced from PubChem (CID 84650003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).