8-[(2E)-cyclooct-2-en-1-yl]-1,4-dioxa-8-azaspiro[4.5]decane

C15H25NO2 — CID 114227945

IUPAC8-[(2E)-cyclooct-2-en-1-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESC1=C\C(N2CCC3(CC2)OCCO3)CCCCC/1
InChIInChI=1S/C15H25NO2/c1-2-4-6-14(7-5-3-1)16-10-8-15(9-11-16)17-12-13-18-15/h4,6,14H,1-3,5,7-13H2/b6-4-
InChIKeyLUDMWUCSTSOZEJ-XQRVVYSFSA-N
MW251.37 g/mol
LogP2.71
Rot. Bonds1

About 8-[(2E)-cyclooct-2-en-1-yl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[(2E)-cyclooct-2-en-1-yl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 114227945) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 8-[(2E)-cyclooct-2-en-1-yl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(2E)-cyclooct-2-en-1-yl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID114227945
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name8-[(2E)-cyclooct-2-en-1-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESC1=C\C(N2CCC3(CC2)OCCO3)CCCCC/1
InChIInChI=1S/C15H25NO2/c1-2-4-6-14(7-5-3-1)16-10-8-15(9-11-16)17-12-13-18-15/h4,6,14H,1-3,5,7-13H2/b6-4-
InChIKeyLUDMWUCSTSOZEJ-XQRVVYSFSA-N
XLogP2.71
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol
CID 86594080
trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclopentan-1-ol
CID 126846526
1-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]ethanamine
CID 114228031
(12E)-1,4-dioxaspiro[4.15]icos-12-ene
CID 11357975
5-(1-cyclooct-2-en-1-ylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole
CID 131955862
2-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanamine
CID 114620570
1-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanone
CID 114620010
(1S)-2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)cyclohexan-1-ol
CID 45358553
1-cyclohex-2-en-1-yl-3-methylidenepiperidine
CID 130736652
2-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]oxyacetic acid
CID 114228011
methyl 4-[(2E)-cyclooct-2-en-1-yl]morpholine-2-carboxylate
CID 114228063
8-(oxan-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 103738480

Frequently Asked Questions

What is the IUPAC name of 8-[(2E)-cyclooct-2-en-1-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(2E)-cyclooct-2-en-1-yl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 114227945) is 8-[(2E)-cyclooct-2-en-1-yl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(2E)-cyclooct-2-en-1-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(2E)-cyclooct-2-en-1-yl]-1,4-dioxa-8-azaspiro[4.5]decane is C1=C\C(N2CCC3(CC2)OCCO3)CCCCC/1.
What is the InChIKey of 8-[(2E)-cyclooct-2-en-1-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is LUDMWUCSTSOZEJ-XQRVVYSFSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-4-6-14(7-5-3-1)16-10-8-15(9-11-16)17-12-13-18-15/h4,6,14H,1-3,5,7-13H2/b6-4-.
What are the key properties of 8-[(2E)-cyclooct-2-en-1-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[(2E)-cyclooct-2-en-1-yl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 251.37 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2E)-cyclooct-2-en-1-yl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 114227945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).