4-propan-2-yl-8-oxa-1-azaspiro[4.5]dec-3-ene

C11H19NO — CID 154952980

IUPAC4-propan-2-yl-8-oxa-1-azaspiro[4.5]dec-3-ene
SMILESCC(C)C1=CCNC12CCOCC2
InChIInChI=1S/C11H19NO/c1-9(2)10-3-6-12-11(10)4-7-13-8-5-11/h3,9,12H,4-8H2,1-2H3
InChIKeyIOCYSRZJAFLPRT-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.72
Rot. Bonds1

About 4-propan-2-yl-8-oxa-1-azaspiro[4.5]dec-3-ene

4-propan-2-yl-8-oxa-1-azaspiro[4.5]dec-3-ene (PubChem CID 154952980) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-propan-2-yl-8-oxa-1-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name4-propan-2-yl-8-oxa-1-azaspiro[4.5]dec-3-ene
PubChem CID154952980
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-propan-2-yl-8-oxa-1-azaspiro[4.5]dec-3-ene
SMILESCC(C)C1=CCNC12CCOCC2
InChIInChI=1S/C11H19NO/c1-9(2)10-3-6-12-11(10)4-7-13-8-5-11/h3,9,12H,4-8H2,1-2H3
InChIKeyIOCYSRZJAFLPRT-UHFFFAOYSA-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 4-propan-2-yl-8-oxa-1-azaspiro[4.5]dec-3-ene?
The IUPAC name of 4-propan-2-yl-8-oxa-1-azaspiro[4.5]dec-3-ene (CID 154952980) is 4-propan-2-yl-8-oxa-1-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 4-propan-2-yl-8-oxa-1-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 4-propan-2-yl-8-oxa-1-azaspiro[4.5]dec-3-ene is CC(C)C1=CCNC12CCOCC2.
What is the InChIKey of 4-propan-2-yl-8-oxa-1-azaspiro[4.5]dec-3-ene?
The InChIKey is IOCYSRZJAFLPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)10-3-6-12-11(10)4-7-13-8-5-11/h3,9,12H,4-8H2,1-2H3.
What are the key properties of 4-propan-2-yl-8-oxa-1-azaspiro[4.5]dec-3-ene?
4-propan-2-yl-8-oxa-1-azaspiro[4.5]dec-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 4-propan-2-yl-8-oxa-1-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 154952980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).