(1R,5R)-6-azabicyclo[3.2.1]octan-3-one

C7H11NO — CID 98053673

IUPAC(1R,5R)-6-azabicyclo[3.2.1]octan-3-one
SMILESO=C1C[C@@H]2CN[C@@H](C1)C2
InChIInChI=1S/C7H11NO/c9-7-2-5-1-6(3-7)8-4-5/h5-6,8H,1-4H2/t5-,6-/m1/s1
InChIKeyYKHKXSSNUGYASF-PHDIDXHHSA-N
MW125.17 g/mol
LogP0.33
Rot. Bonds

About (1R,5R)-6-azabicyclo[3.2.1]octan-3-one

(1R,5R)-6-azabicyclo[3.2.1]octan-3-one (PubChem CID 98053673) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (1R,5R)-6-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(1R,5R)-6-azabicyclo[3.2.1]octan-3-one
PubChem CID98053673
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(1R,5R)-6-azabicyclo[3.2.1]octan-3-one
SMILESO=C1C[C@@H]2CN[C@@H](C1)C2
InChIInChI=1S/C7H11NO/c9-7-2-5-1-6(3-7)8-4-5/h5-6,8H,1-4H2/t5-,6-/m1/s1
InChIKeyYKHKXSSNUGYASF-PHDIDXHHSA-N
XLogP0.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-6-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of (1R,5R)-6-azabicyclo[3.2.1]octan-3-one (CID 98053673) is (1R,5R)-6-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (1R,5R)-6-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for (1R,5R)-6-azabicyclo[3.2.1]octan-3-one is O=C1C[C@@H]2CN[C@@H](C1)C2.
What is the InChIKey of (1R,5R)-6-azabicyclo[3.2.1]octan-3-one?
The InChIKey is YKHKXSSNUGYASF-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H11NO/c9-7-2-5-1-6(3-7)8-4-5/h5-6,8H,1-4H2/t5-,6-/m1/s1.
What are the key properties of (1R,5R)-6-azabicyclo[3.2.1]octan-3-one?
(1R,5R)-6-azabicyclo[3.2.1]octan-3-one has a molecular weight of 125.17 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-6-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 98053673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).