1-(methoxymethyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one

C11H20N2O2 — CID 547558

IUPAC1-(methoxymethyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
SMILESCOCC12CN(C)CC(CN(C)C1)C2=O
InChIInChI=1S/C11H20N2O2/c1-12-4-9-5-13(2)7-11(6-12,8-15-3)10(9)14/h9H,4-8H2,1-3H3
InChIKeyFWLKDCLKUSKIFJ-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.30
Rot. Bonds2

About 1-(methoxymethyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one

1-(methoxymethyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one (PubChem CID 547558) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(methoxymethyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name1-(methoxymethyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
PubChem CID547558
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(methoxymethyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
SMILESCOCC12CN(C)CC(CN(C)C1)C2=O
InChIInChI=1S/C11H20N2O2/c1-12-4-9-5-13(2)7-11(6-12,8-15-3)10(9)14/h9H,4-8H2,1-3H3
InChIKeyFWLKDCLKUSKIFJ-UHFFFAOYSA-N
XLogP-0.30
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The IUPAC name of 1-(methoxymethyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one (CID 547558) is 1-(methoxymethyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for 1-(methoxymethyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The canonical SMILES for 1-(methoxymethyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one is COCC12CN(C)CC(CN(C)C1)C2=O.
What is the InChIKey of 1-(methoxymethyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The InChIKey is FWLKDCLKUSKIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-12-4-9-5-13(2)7-11(6-12,8-15-3)10(9)14/h9H,4-8H2,1-3H3.
What are the key properties of 1-(methoxymethyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
1-(methoxymethyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one has a molecular weight of 212.29 g/mol, XLogP of -0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 547558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).