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

C11H18N2O2 — CID 67130944

IUPAC[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1C[C@@H]2CN[C@@H](C2)C1
InChIInChI=1S/C11H18N2O2/c14-11(9-1-2-15-7-9)13-5-8-3-10(6-13)12-4-8/h8-10,12H,1-7H2/t8-,9?,10-/m0/s1
InChIKeyFCAHOQKXTXPTMC-SMILAEQMSA-N
MW210.28 g/mol
LogP-0.16
Rot. Bonds1

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

[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(oxolan-3-yl)methanone (PubChem CID 67130944) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(oxolan-3-yl)methanone
PubChem CID67130944
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1C[C@@H]2CN[C@@H](C2)C1
InChIInChI=1S/C11H18N2O2/c14-11(9-1-2-15-7-9)13-5-8-3-10(6-13)12-4-8/h8-10,12H,1-7H2/t8-,9?,10-/m0/s1
InChIKeyFCAHOQKXTXPTMC-SMILAEQMSA-N
XLogP-0.16
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 ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(oxolan-3-yl)methanone (CID 67130944) is [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(oxolan-3-yl)methanone is O=C(C1CCOC1)N1C[C@@H]2CN[C@@H](C2)C1.
What is the InChIKey of [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(oxolan-3-yl)methanone?
The InChIKey is FCAHOQKXTXPTMC-SMILAEQMSA-N. The full InChI is InChI=1S/C11H18N2O2/c14-11(9-1-2-15-7-9)13-5-8-3-10(6-13)12-4-8/h8-10,12H,1-7H2/t8-,9?,10-/m0/s1.
What are the key properties of [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(oxolan-3-yl)methanone?
[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(oxolan-3-yl)methanone has a molecular weight of 210.28 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 67130944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).