3,8-diazabicyclo[3.2.1]octan-8-yl-[(2S)-oxolan-2-yl]methanone

C11H18N2O2 — CID 152657152

IUPAC3,8-diazabicyclo[3.2.1]octan-8-yl-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1C2CCC1CNC2
InChIInChI=1S/C11H18N2O2/c14-11(10-2-1-5-15-10)13-8-3-4-9(13)7-12-6-8/h8-10,12H,1-7H2/t8?,9?,10-/m0/s1
InChIKeyZITKTDBIVLWPBS-RTBKNWGFSA-N
MW210.28 g/mol
LogP0.13
Rot. Bonds1

About 3,8-diazabicyclo[3.2.1]octan-8-yl-[(2S)-oxolan-2-yl]methanone

3,8-diazabicyclo[3.2.1]octan-8-yl-[(2S)-oxolan-2-yl]methanone (PubChem CID 152657152) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3,8-diazabicyclo[3.2.1]octan-8-yl-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name3,8-diazabicyclo[3.2.1]octan-8-yl-[(2S)-oxolan-2-yl]methanone
PubChem CID152657152
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3,8-diazabicyclo[3.2.1]octan-8-yl-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1C2CCC1CNC2
InChIInChI=1S/C11H18N2O2/c14-11(10-2-1-5-15-10)13-8-3-4-9(13)7-12-6-8/h8-10,12H,1-7H2/t8?,9?,10-/m0/s1
InChIKeyZITKTDBIVLWPBS-RTBKNWGFSA-N
XLogP0.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,8-diazabicyclo[3.2.1]octan-8-yl-[(2S)-oxolan-2-yl]methanone 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 3,8-diazabicyclo[3.2.1]octan-8-yl-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of 3,8-diazabicyclo[3.2.1]octan-8-yl-[(2S)-oxolan-2-yl]methanone (CID 152657152) is 3,8-diazabicyclo[3.2.1]octan-8-yl-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for 3,8-diazabicyclo[3.2.1]octan-8-yl-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for 3,8-diazabicyclo[3.2.1]octan-8-yl-[(2S)-oxolan-2-yl]methanone is O=C([C@@H]1CCCO1)N1C2CCC1CNC2.
What is the InChIKey of 3,8-diazabicyclo[3.2.1]octan-8-yl-[(2S)-oxolan-2-yl]methanone?
The InChIKey is ZITKTDBIVLWPBS-RTBKNWGFSA-N. The full InChI is InChI=1S/C11H18N2O2/c14-11(10-2-1-5-15-10)13-8-3-4-9(13)7-12-6-8/h8-10,12H,1-7H2/t8?,9?,10-/m0/s1.
What are the key properties of 3,8-diazabicyclo[3.2.1]octan-8-yl-[(2S)-oxolan-2-yl]methanone?
3,8-diazabicyclo[3.2.1]octan-8-yl-[(2S)-oxolan-2-yl]methanone has a molecular weight of 210.28 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diazabicyclo[3.2.1]octan-8-yl-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 152657152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).