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

C10H18N2O — CID 82023861

IUPAC3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-9-one
SMILESCC(C)N1CC2CNCC(C1)C2=O
InChIInChI=1S/C10H18N2O/c1-7(2)12-5-8-3-11-4-9(6-12)10(8)13/h7-9,11H,3-6H2,1-2H3
InChIKeyMXOSDJKUPMBGDU-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.12
Rot. Bonds1

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

3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-9-one (PubChem CID 82023861) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-9-one
PubChem CID82023861
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-9-one
SMILESCC(C)N1CC2CNCC(C1)C2=O
InChIInChI=1S/C10H18N2O/c1-7(2)12-5-8-3-11-4-9(6-12)10(8)13/h7-9,11H,3-6H2,1-2H3
InChIKeyMXOSDJKUPMBGDU-UHFFFAOYSA-N
XLogP0.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The IUPAC name of 3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-9-one (CID 82023861) is 3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for 3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The canonical SMILES for 3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-9-one is CC(C)N1CC2CNCC(C1)C2=O.
What is the InChIKey of 3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The InChIKey is MXOSDJKUPMBGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(2)12-5-8-3-11-4-9(6-12)10(8)13/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-9-one?
3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-9-one has a molecular weight of 182.27 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 82023861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).