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

C10H18N2O — CID 45099835

IUPAC3-ethyl-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one
SMILESCCN1CC2CC(=O)CC(C1)N2C
InChIInChI=1S/C10H18N2O/c1-3-12-6-8-4-10(13)5-9(7-12)11(8)2/h8-9H,3-7H2,1-2H3
InChIKeyAPYKODXEZAZXEW-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.35
Rot. Bonds1

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

3-ethyl-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one (PubChem CID 45099835) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-ethyl-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one.

Molecular Properties

Compound Name3-ethyl-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one
PubChem CID45099835
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-ethyl-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one
SMILESCCN1CC2CC(=O)CC(C1)N2C
InChIInChI=1S/C10H18N2O/c1-3-12-6-8-4-10(13)5-9(7-12)11(8)2/h8-9H,3-7H2,1-2H3
InChIKeyAPYKODXEZAZXEW-UHFFFAOYSA-N
XLogP0.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one?
The IUPAC name of 3-ethyl-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one (CID 45099835) is 3-ethyl-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one.
What is the SMILES notation for 3-ethyl-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one?
The canonical SMILES for 3-ethyl-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one is CCN1CC2CC(=O)CC(C1)N2C.
What is the InChIKey of 3-ethyl-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one?
The InChIKey is APYKODXEZAZXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-12-6-8-4-10(13)5-9(7-12)11(8)2/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one?
3-ethyl-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one has a molecular weight of 182.27 g/mol, XLogP of 0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one is sourced from PubChem (CID 45099835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).