[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone

C10H15FN2O — CID 67130491

IUPAC[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
SMILESO=C([C@@H]1C[C@@H]1F)N1C[C@H]2CNC[C@@H]1C2
InChIInChI=1S/C10H15FN2O/c11-9-2-8(9)10(14)13-5-6-1-7(13)4-12-3-6/h6-9,12H,1-5H2/t6-,7+,8-,9+/m1/s1
InChIKeyLYGOQSDWTIQRRQ-XAVMHZPKSA-N
MW198.24 g/mol
LogP0.16
Rot. Bonds1

About [(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone

[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone (PubChem CID 67130491) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is [(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone.

Molecular Properties

Compound Name[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
PubChem CID67130491
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
SMILESO=C([C@@H]1C[C@@H]1F)N1C[C@H]2CNC[C@@H]1C2
InChIInChI=1S/C10H15FN2O/c11-9-2-8(9)10(14)13-5-6-1-7(13)4-12-3-6/h6-9,12H,1-5H2/t6-,7+,8-,9+/m1/s1
InChIKeyLYGOQSDWTIQRRQ-XAVMHZPKSA-N
XLogP0.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?
The IUPAC name of [(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone (CID 67130491) is [(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone.
What is the SMILES notation for [(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?
The canonical SMILES for [(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone is O=C([C@@H]1C[C@@H]1F)N1C[C@H]2CNC[C@@H]1C2.
What is the InChIKey of [(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?
The InChIKey is LYGOQSDWTIQRRQ-XAVMHZPKSA-N. The full InChI is InChI=1S/C10H15FN2O/c11-9-2-8(9)10(14)13-5-6-1-7(13)4-12-3-6/h6-9,12H,1-5H2/t6-,7+,8-,9+/m1/s1.
What are the key properties of [(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?
[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone has a molecular weight of 198.24 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone is sourced from PubChem (CID 67130491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).