2-propan-2-yl-6-oxa-2-azaspiro[4.5]dec-8-ene

C11H19NO — CID 130287295

IUPAC2-propan-2-yl-6-oxa-2-azaspiro[4.5]dec-8-ene
SMILESCC(C)N1CCC2(CC=CCO2)C1
InChIInChI=1S/C11H19NO/c1-10(2)12-7-6-11(9-12)5-3-4-8-13-11/h3-4,10H,5-9H2,1-2H3
InChIKeyWGOHTXIYYKEDIX-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.82
Rot. Bonds1

About 2-propan-2-yl-6-oxa-2-azaspiro[4.5]dec-8-ene

2-propan-2-yl-6-oxa-2-azaspiro[4.5]dec-8-ene (PubChem CID 130287295) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-propan-2-yl-6-oxa-2-azaspiro[4.5]dec-8-ene.

Molecular Properties

Compound Name2-propan-2-yl-6-oxa-2-azaspiro[4.5]dec-8-ene
PubChem CID130287295
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-propan-2-yl-6-oxa-2-azaspiro[4.5]dec-8-ene
SMILESCC(C)N1CCC2(CC=CCO2)C1
InChIInChI=1S/C11H19NO/c1-10(2)12-7-6-11(9-12)5-3-4-8-13-11/h3-4,10H,5-9H2,1-2H3
InChIKeyWGOHTXIYYKEDIX-UHFFFAOYSA-N
XLogP1.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
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 2-propan-2-yl-6-oxa-2-azaspiro[4.5]dec-8-ene?
The IUPAC name of 2-propan-2-yl-6-oxa-2-azaspiro[4.5]dec-8-ene (CID 130287295) is 2-propan-2-yl-6-oxa-2-azaspiro[4.5]dec-8-ene.
What is the SMILES notation for 2-propan-2-yl-6-oxa-2-azaspiro[4.5]dec-8-ene?
The canonical SMILES for 2-propan-2-yl-6-oxa-2-azaspiro[4.5]dec-8-ene is CC(C)N1CCC2(CC=CCO2)C1.
What is the InChIKey of 2-propan-2-yl-6-oxa-2-azaspiro[4.5]dec-8-ene?
The InChIKey is WGOHTXIYYKEDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2)12-7-6-11(9-12)5-3-4-8-13-11/h3-4,10H,5-9H2,1-2H3.
What are the key properties of 2-propan-2-yl-6-oxa-2-azaspiro[4.5]dec-8-ene?
2-propan-2-yl-6-oxa-2-azaspiro[4.5]dec-8-ene has a molecular weight of 181.28 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-oxa-2-azaspiro[4.5]dec-8-ene is sourced from PubChem (CID 130287295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).