[(1S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[(2S)-2-fluorocyclopropyl]methanone

C11H17FN2O — CID 45111239

IUPAC[(1S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[(2S)-2-fluorocyclopropyl]methanone
SMILESO=C(C1C[C@@H]1F)N1C[C@H]2CCC1CNC2
InChIInChI=1S/C11H17FN2O/c12-10-3-9(10)11(15)14-6-7-1-2-8(14)5-13-4-7/h7-10,13H,1-6H2/t7-,8?,9?,10-/m0/s1
InChIKeyDLEXSPAHOKTEJT-NFTFJBJSSA-N
MW212.27 g/mol
LogP0.55
Rot. Bonds1

About [(1S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[(2S)-2-fluorocyclopropyl]methanone

[(1S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[(2S)-2-fluorocyclopropyl]methanone (PubChem CID 45111239) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is [(1S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[(2S)-2-fluorocyclopropyl]methanone.

Molecular Properties

Compound Name[(1S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[(2S)-2-fluorocyclopropyl]methanone
PubChem CID45111239
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name[(1S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[(2S)-2-fluorocyclopropyl]methanone
SMILESO=C(C1C[C@@H]1F)N1C[C@H]2CCC1CNC2
InChIInChI=1S/C11H17FN2O/c12-10-3-9(10)11(15)14-6-7-1-2-8(14)5-13-4-7/h7-10,13H,1-6H2/t7-,8?,9?,10-/m0/s1
InChIKeyDLEXSPAHOKTEJT-NFTFJBJSSA-N
XLogP0.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclopropyl(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone
CID 58488107
cyclopropyl-[(1S,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone
CID 71450171
cyclopropyl-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone
CID 71451994
1-(3,6-Diazabicyclo[3.2.2]nonan-3-yl)-2-fluoroethanone
CID 45110531
[(1R)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-[(2R)-2-fluorocyclopropyl]methanone
CID 45110656
[(1R)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-[(2S)-2-fluorocyclopropyl]methanone
CID 45110657
[(1S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-[(2R)-2-fluorocyclopropyl]methanone
CID 45110658
[(1S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-[(2S)-2-fluorocyclopropyl]methanone
CID 45110659
1-(3,6-Diazabicyclo[3.2.2]nonan-6-yl)-2-fluoroethanone
CID 45111089
[(1R)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[(2R)-2-fluorocyclopropyl]methanone
CID 45111236
[(1R)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[(2S)-2-fluorocyclopropyl]methanone
CID 45111237
[(1S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[(2R)-2-fluorocyclopropyl]methanone
CID 45111238

Frequently Asked Questions

What is the IUPAC name of [(1S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[(2S)-2-fluorocyclopropyl]methanone?
The IUPAC name of [(1S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[(2S)-2-fluorocyclopropyl]methanone (CID 45111239) is [(1S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[(2S)-2-fluorocyclopropyl]methanone.
What is the SMILES notation for [(1S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[(2S)-2-fluorocyclopropyl]methanone?
The canonical SMILES for [(1S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[(2S)-2-fluorocyclopropyl]methanone is O=C(C1C[C@@H]1F)N1C[C@H]2CCC1CNC2.
What is the InChIKey of [(1S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[(2S)-2-fluorocyclopropyl]methanone?
The InChIKey is DLEXSPAHOKTEJT-NFTFJBJSSA-N. The full InChI is InChI=1S/C11H17FN2O/c12-10-3-9(10)11(15)14-6-7-1-2-8(14)5-13-4-7/h7-10,13H,1-6H2/t7-,8?,9?,10-/m0/s1.
What are the key properties of [(1S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[(2S)-2-fluorocyclopropyl]methanone?
[(1S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[(2S)-2-fluorocyclopropyl]methanone has a molecular weight of 212.27 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[(2S)-2-fluorocyclopropyl]methanone is sourced from PubChem (CID 45111239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).