(1S,5R)-spiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one

C10H16N2O2 — CID 124680733

IUPAC(1S,5R)-spiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one
SMILESO=C1COC2(CN1)C[C@H]1CC[C@@H](C2)N1
InChIInChI=1S/C10H16N2O2/c13-9-5-14-10(6-11-9)3-7-1-2-8(4-10)12-7/h7-8,12H,1-6H2,(H,11,13)/t7-,8+,10?
InChIKeyNXORNAWFKAZFOV-JWHQNHQBSA-N
MW196.25 g/mol
LogP-0.21
Rot. Bonds

About (1S,5R)-spiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one

(1S,5R)-spiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one (PubChem CID 124680733) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (1S,5R)-spiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one.

Molecular Properties

Compound Name(1S,5R)-spiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one
PubChem CID124680733
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(1S,5R)-spiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one
SMILESO=C1COC2(CN1)C[C@H]1CC[C@@H](C2)N1
InChIInChI=1S/C10H16N2O2/c13-9-5-14-10(6-11-9)3-7-1-2-8(4-10)12-7/h7-8,12H,1-6H2,(H,11,13)/t7-,8+,10?
InChIKeyNXORNAWFKAZFOV-JWHQNHQBSA-N
XLogP-0.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-spiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one?
The IUPAC name of (1S,5R)-spiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one (CID 124680733) is (1S,5R)-spiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one.
What is the SMILES notation for (1S,5R)-spiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one?
The canonical SMILES for (1S,5R)-spiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one is O=C1COC2(CN1)C[C@H]1CC[C@@H](C2)N1.
What is the InChIKey of (1S,5R)-spiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one?
The InChIKey is NXORNAWFKAZFOV-JWHQNHQBSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-9-5-14-10(6-11-9)3-7-1-2-8(4-10)12-7/h7-8,12H,1-6H2,(H,11,13)/t7-,8+,10?.
What are the key properties of (1S,5R)-spiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one?
(1S,5R)-spiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one has a molecular weight of 196.25 g/mol, XLogP of -0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-spiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one is sourced from PubChem (CID 124680733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).