(1R,5S)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-piperidine]

C9H15NO — CID 138008213

IUPAC(1R,5S)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-piperidine]
SMILESC1CNCC2(C1)OC[C@H]1C[C@H]12
InChIInChI=1S/C9H15NO/c1-2-9(6-10-3-1)8-4-7(8)5-11-9/h7-8,10H,1-6H2/t7-,8-,9?/m1/s1
InChIKeyKZNRQQWLHVHJSK-ZAZKALAHSA-N
MW153.22 g/mol
LogP0.77
Rot. Bonds

About (1R,5S)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-piperidine]

(1R,5S)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-piperidine] (PubChem CID 138008213) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (1R,5S)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-piperidine].

Molecular Properties

Compound Name(1R,5S)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-piperidine]
PubChem CID138008213
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(1R,5S)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-piperidine]
SMILESC1CNCC2(C1)OC[C@H]1C[C@H]12
InChIInChI=1S/C9H15NO/c1-2-9(6-10-3-1)8-4-7(8)5-11-9/h7-8,10H,1-6H2/t7-,8-,9?/m1/s1
InChIKeyKZNRQQWLHVHJSK-ZAZKALAHSA-N
XLogP0.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-piperidine]?
The IUPAC name of (1R,5S)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-piperidine] (CID 138008213) is (1R,5S)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-piperidine].
What is the SMILES notation for (1R,5S)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-piperidine]?
The canonical SMILES for (1R,5S)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-piperidine] is C1CNCC2(C1)OC[C@H]1C[C@H]12.
What is the InChIKey of (1R,5S)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-piperidine]?
The InChIKey is KZNRQQWLHVHJSK-ZAZKALAHSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-9(6-10-3-1)8-4-7(8)5-11-9/h7-8,10H,1-6H2/t7-,8-,9?/m1/s1.
What are the key properties of (1R,5S)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-piperidine]?
(1R,5S)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-piperidine] has a molecular weight of 153.22 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-piperidine] is sourced from PubChem (CID 138008213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).