(6S,11S)-11-ethyl-8-oxa-1-azaspiro[5.5]undec-3-ene

C11H19NO — CID 122597378

IUPAC(6S,11S)-11-ethyl-8-oxa-1-azaspiro[5.5]undec-3-ene
SMILESCC[C@H]1CCOC[C@]12CC=CCN2
InChIInChI=1S/C11H19NO/c1-2-10-5-8-13-9-11(10)6-3-4-7-12-11/h3-4,10,12H,2,5-9H2,1H3/t10-,11+/m0/s1
InChIKeyXTSPROHVUOWALE-WDEREUQCSA-N
MW181.28 g/mol
LogP1.72
Rot. Bonds1

About (6S,11S)-11-ethyl-8-oxa-1-azaspiro[5.5]undec-3-ene

(6S,11S)-11-ethyl-8-oxa-1-azaspiro[5.5]undec-3-ene (PubChem CID 122597378) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (6S,11S)-11-ethyl-8-oxa-1-azaspiro[5.5]undec-3-ene.

Molecular Properties

Compound Name(6S,11S)-11-ethyl-8-oxa-1-azaspiro[5.5]undec-3-ene
PubChem CID122597378
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(6S,11S)-11-ethyl-8-oxa-1-azaspiro[5.5]undec-3-ene
SMILESCC[C@H]1CCOC[C@]12CC=CCN2
InChIInChI=1S/C11H19NO/c1-2-10-5-8-13-9-11(10)6-3-4-7-12-11/h3-4,10,12H,2,5-9H2,1H3/t10-,11+/m0/s1
InChIKeyXTSPROHVUOWALE-WDEREUQCSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S,11S)-11-ethyl-8-oxa-1-azaspiro[5.5]undec-3-ene?
The IUPAC name of (6S,11S)-11-ethyl-8-oxa-1-azaspiro[5.5]undec-3-ene (CID 122597378) is (6S,11S)-11-ethyl-8-oxa-1-azaspiro[5.5]undec-3-ene.
What is the SMILES notation for (6S,11S)-11-ethyl-8-oxa-1-azaspiro[5.5]undec-3-ene?
The canonical SMILES for (6S,11S)-11-ethyl-8-oxa-1-azaspiro[5.5]undec-3-ene is CC[C@H]1CCOC[C@]12CC=CCN2.
What is the InChIKey of (6S,11S)-11-ethyl-8-oxa-1-azaspiro[5.5]undec-3-ene?
The InChIKey is XTSPROHVUOWALE-WDEREUQCSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-10-5-8-13-9-11(10)6-3-4-7-12-11/h3-4,10,12H,2,5-9H2,1H3/t10-,11+/m0/s1.
What are the key properties of (6S,11S)-11-ethyl-8-oxa-1-azaspiro[5.5]undec-3-ene?
(6S,11S)-11-ethyl-8-oxa-1-azaspiro[5.5]undec-3-ene has a molecular weight of 181.28 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,11S)-11-ethyl-8-oxa-1-azaspiro[5.5]undec-3-ene is sourced from PubChem (CID 122597378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).