9-methyl-3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-7-one

C11H20N2O — CID 54264465

IUPAC9-methyl-3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-7-one
SMILESCC(C)N1CC2CC(=O)CC(C1)N2C
InChIInChI=1S/C11H20N2O/c1-8(2)13-6-9-4-11(14)5-10(7-13)12(9)3/h8-10H,4-7H2,1-3H3
InChIKeyRFUACIOTGZTXIZ-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.74
Rot. Bonds1

About 9-methyl-3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-7-one

9-methyl-3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-7-one (PubChem CID 54264465) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 9-methyl-3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-7-one.

Molecular Properties

Compound Name9-methyl-3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-7-one
PubChem CID54264465
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name9-methyl-3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-7-one
SMILESCC(C)N1CC2CC(=O)CC(C1)N2C
InChIInChI=1S/C11H20N2O/c1-8(2)13-6-9-4-11(14)5-10(7-13)12(9)3/h8-10H,4-7H2,1-3H3
InChIKeyRFUACIOTGZTXIZ-UHFFFAOYSA-N
XLogP0.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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

Analyze 9-methyl-3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-7-one?
The IUPAC name of 9-methyl-3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-7-one (CID 54264465) is 9-methyl-3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-7-one.
What is the SMILES notation for 9-methyl-3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-7-one?
The canonical SMILES for 9-methyl-3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-7-one is CC(C)N1CC2CC(=O)CC(C1)N2C.
What is the InChIKey of 9-methyl-3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-7-one?
The InChIKey is RFUACIOTGZTXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(2)13-6-9-4-11(14)5-10(7-13)12(9)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 9-methyl-3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-7-one?
9-methyl-3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-7-one has a molecular weight of 196.29 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-7-one is sourced from PubChem (CID 54264465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).