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

C8H14N2O — CID 141208858

IUPAC1-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one
SMILESCC12CNCC(CNC1)C2=O
InChIInChI=1S/C8H14N2O/c1-8-4-9-2-6(7(8)11)3-10-5-8/h6,9-10H,2-5H2,1H3
InChIKeyRDHRFKGDLGQMNO-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.62
Rot. Bonds

About 1-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one

1-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one (PubChem CID 141208858) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name1-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one
PubChem CID141208858
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one
SMILESCC12CNCC(CNC1)C2=O
InChIInChI=1S/C8H14N2O/c1-8-4-9-2-6(7(8)11)3-10-5-8/h6,9-10H,2-5H2,1H3
InChIKeyRDHRFKGDLGQMNO-UHFFFAOYSA-N
XLogP-0.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-Dimethyl-3,7-diazabicyclo(3.3.1)nonan-9-one
CID 768164
3,7-Diazabicyclo(3.3.1)nonan-9-one, 1,5-dimethyl-, dihydrochloride
CID 3075225
1-Methyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 756627
1,3,5,7-Tetramethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 14942463
1,5-Diethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 16394979
3,7-Diazabicyclo[3.3.1]nonan-9-one
CID 19068444
3-Acetyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 172640367
1-Ethyl-5-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 16394878
1,5-Dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one;hydrochloride
CID 69011048
3-Propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 82023861
3-Methyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 84020932
3,7-Diazabicyclo[3.3.1]nonane-1-carboxamide
CID 117976079

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The IUPAC name of 1-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one (CID 141208858) is 1-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for 1-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The canonical SMILES for 1-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one is CC12CNCC(CNC1)C2=O.
What is the InChIKey of 1-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The InChIKey is RDHRFKGDLGQMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8-4-9-2-6(7(8)11)3-10-5-8/h6,9-10H,2-5H2,1H3.
What are the key properties of 1-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
1-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one has a molecular weight of 154.21 g/mol, XLogP of -0.62, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,7-diazabicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 141208858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).