8-cyclohepta-1,3,6-trien-1-yl-1,4-dioxa-8-azaspiro[4.5]decane

C14H19NO2 — CID 142117794

IUPAC8-cyclohepta-1,3,6-trien-1-yl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESC1=CCC=CC(N2CCC3(CC2)OCCO3)=C1
InChIInChI=1S/C14H19NO2/c1-2-4-6-13(5-3-1)15-9-7-14(8-10-15)16-11-12-17-14/h1,3-6H,2,7-12H2
InChIKeyOOEFUGSZCNYSMI-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.23
Rot. Bonds1

About 8-cyclohepta-1,3,6-trien-1-yl-1,4-dioxa-8-azaspiro[4.5]decane

8-cyclohepta-1,3,6-trien-1-yl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 142117794) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 8-cyclohepta-1,3,6-trien-1-yl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-cyclohepta-1,3,6-trien-1-yl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID142117794
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name8-cyclohepta-1,3,6-trien-1-yl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESC1=CCC=CC(N2CCC3(CC2)OCCO3)=C1
InChIInChI=1S/C14H19NO2/c1-2-4-6-13(5-3-1)15-9-7-14(8-10-15)16-11-12-17-14/h1,3-6H,2,7-12H2
InChIKeyOOEFUGSZCNYSMI-UHFFFAOYSA-N
XLogP2.23
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-cyclohepta-1,3,6-trien-1-yl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-cyclohepta-1,3,6-trien-1-yl-1,4-dioxa-8-azaspiro[4.5]decane (CID 142117794) is 8-cyclohepta-1,3,6-trien-1-yl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-cyclohepta-1,3,6-trien-1-yl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-cyclohepta-1,3,6-trien-1-yl-1,4-dioxa-8-azaspiro[4.5]decane is C1=CCC=CC(N2CCC3(CC2)OCCO3)=C1.
What is the InChIKey of 8-cyclohepta-1,3,6-trien-1-yl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is OOEFUGSZCNYSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-4-6-13(5-3-1)15-9-7-14(8-10-15)16-11-12-17-14/h1,3-6H,2,7-12H2.
What are the key properties of 8-cyclohepta-1,3,6-trien-1-yl-1,4-dioxa-8-azaspiro[4.5]decane?
8-cyclohepta-1,3,6-trien-1-yl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 233.31 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohepta-1,3,6-trien-1-yl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 142117794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).