(1S,5R)-8-azabicyclo[3.2.1]octan-3-one

C7H11NO — CID 11309512

IUPAC(1S,5R)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C7H11NO/c9-7-3-5-1-2-6(4-7)8-5/h5-6,8H,1-4H2/t5-,6+
InChIKeyCVDLBKMNONQOHJ-OLQVQODUSA-N
MW125.17 g/mol
LogP0.47
Rot. Bonds

About (1S,5R)-8-azabicyclo[3.2.1]octan-3-one

(1S,5R)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 11309512) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (1S,5R)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(1S,5R)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID11309512
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(1S,5R)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C7H11NO/c9-7-3-5-1-2-6(4-7)8-5/h5-6,8H,1-4H2/t5-,6+
InChIKeyCVDLBKMNONQOHJ-OLQVQODUSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of (1S,5R)-8-azabicyclo[3.2.1]octan-3-one (CID 11309512) is (1S,5R)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (1S,5R)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for (1S,5R)-8-azabicyclo[3.2.1]octan-3-one is O=C1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of (1S,5R)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is CVDLBKMNONQOHJ-OLQVQODUSA-N. The full InChI is InChI=1S/C7H11NO/c9-7-3-5-1-2-6(4-7)8-5/h5-6,8H,1-4H2/t5-,6+.
What are the key properties of (1S,5R)-8-azabicyclo[3.2.1]octan-3-one?
(1S,5R)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 125.17 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 11309512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).