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

C11H20N2O — CID 54231950

IUPAC9-methyl-3-propyl-3,9-diazabicyclo[3.3.1]nonan-7-one
SMILESCCCN1CC2CC(=O)CC(C1)N2C
InChIInChI=1S/C11H20N2O/c1-3-4-13-7-9-5-11(14)6-10(8-13)12(9)2/h9-10H,3-8H2,1-2H3
InChIKeyQJXDGRRIUSOWMW-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.74
Rot. Bonds2

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

9-methyl-3-propyl-3,9-diazabicyclo[3.3.1]nonan-7-one (PubChem CID 54231950) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 9-methyl-3-propyl-3,9-diazabicyclo[3.3.1]nonan-7-one.

Molecular Properties

Compound Name9-methyl-3-propyl-3,9-diazabicyclo[3.3.1]nonan-7-one
PubChem CID54231950
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name9-methyl-3-propyl-3,9-diazabicyclo[3.3.1]nonan-7-one
SMILESCCCN1CC2CC(=O)CC(C1)N2C
InChIInChI=1S/C11H20N2O/c1-3-4-13-7-9-5-11(14)6-10(8-13)12(9)2/h9-10H,3-8H2,1-2H3
InChIKeyQJXDGRRIUSOWMW-UHFFFAOYSA-N
XLogP0.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-propyl-3,9-diazabicyclo[3.3.1]nonan-7-one?
The IUPAC name of 9-methyl-3-propyl-3,9-diazabicyclo[3.3.1]nonan-7-one (CID 54231950) is 9-methyl-3-propyl-3,9-diazabicyclo[3.3.1]nonan-7-one.
What is the SMILES notation for 9-methyl-3-propyl-3,9-diazabicyclo[3.3.1]nonan-7-one?
The canonical SMILES for 9-methyl-3-propyl-3,9-diazabicyclo[3.3.1]nonan-7-one is CCCN1CC2CC(=O)CC(C1)N2C.
What is the InChIKey of 9-methyl-3-propyl-3,9-diazabicyclo[3.3.1]nonan-7-one?
The InChIKey is QJXDGRRIUSOWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-4-13-7-9-5-11(14)6-10(8-13)12(9)2/h9-10H,3-8H2,1-2H3.
What are the key properties of 9-methyl-3-propyl-3,9-diazabicyclo[3.3.1]nonan-7-one?
9-methyl-3-propyl-3,9-diazabicyclo[3.3.1]nonan-7-one has a molecular weight of 196.29 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-propyl-3,9-diazabicyclo[3.3.1]nonan-7-one is sourced from PubChem (CID 54231950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).