1-(1,4-dioxaspiro[4.5]decan-8-yl)indole

C16H19NO2 — CID 69271159

IUPAC1-(1,4-dioxaspiro[4.5]decan-8-yl)indole
SMILESc1ccc2c(c1)ccn2C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H19NO2/c1-2-4-15-13(3-1)7-10-17(15)14-5-8-16(9-6-14)18-11-12-19-16/h1-4,7,10,14H,5-6,8-9,11-12H2
InChIKeyBEWNSJALCFODLQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.50
Rot. Bonds1

About 1-(1,4-dioxaspiro[4.5]decan-8-yl)indole

1-(1,4-dioxaspiro[4.5]decan-8-yl)indole (PubChem CID 69271159) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]decan-8-yl)indole.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.5]decan-8-yl)indole
PubChem CID69271159
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-(1,4-dioxaspiro[4.5]decan-8-yl)indole
SMILESc1ccc2c(c1)ccn2C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H19NO2/c1-2-4-15-13(3-1)7-10-17(15)14-5-8-16(9-6-14)18-11-12-19-16/h1-4,7,10,14H,5-6,8-9,11-12H2
InChIKeyBEWNSJALCFODLQ-UHFFFAOYSA-N
XLogP3.50
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)indole?
The IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)indole (CID 69271159) is 1-(1,4-dioxaspiro[4.5]decan-8-yl)indole.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]decan-8-yl)indole?
The canonical SMILES for 1-(1,4-dioxaspiro[4.5]decan-8-yl)indole is c1ccc2c(c1)ccn2C1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxaspiro[4.5]decan-8-yl)indole?
The InChIKey is BEWNSJALCFODLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-4-15-13(3-1)7-10-17(15)14-5-8-16(9-6-14)18-11-12-19-16/h1-4,7,10,14H,5-6,8-9,11-12H2.
What are the key properties of 1-(1,4-dioxaspiro[4.5]decan-8-yl)indole?
1-(1,4-dioxaspiro[4.5]decan-8-yl)indole has a molecular weight of 257.33 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.5]decan-8-yl)indole is sourced from PubChem (CID 69271159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).