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

C15H18N2O2 — CID 59541145

IUPAC1-(1,4-dioxaspiro[4.5]decan-8-yl)indazole
SMILESc1ccc2c(c1)cnn2C1CCC2(CC1)OCCO2
InChIInChI=1S/C15H18N2O2/c1-2-4-14-12(3-1)11-16-17(14)13-5-7-15(8-6-13)18-9-10-19-15/h1-4,11,13H,5-10H2
InChIKeyFHZAFDDVGAYKFX-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.89
Rot. Bonds1

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

1-(1,4-dioxaspiro[4.5]decan-8-yl)indazole (PubChem CID 59541145) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]decan-8-yl)indazole.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.5]decan-8-yl)indazole
PubChem CID59541145
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(1,4-dioxaspiro[4.5]decan-8-yl)indazole
SMILESc1ccc2c(c1)cnn2C1CCC2(CC1)OCCO2
InChIInChI=1S/C15H18N2O2/c1-2-4-14-12(3-1)11-16-17(14)13-5-7-15(8-6-13)18-9-10-19-15/h1-4,11,13H,5-10H2
InChIKeyFHZAFDDVGAYKFX-UHFFFAOYSA-N
XLogP2.89
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)indazole?
The IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)indazole (CID 59541145) is 1-(1,4-dioxaspiro[4.5]decan-8-yl)indazole.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]decan-8-yl)indazole?
The canonical SMILES for 1-(1,4-dioxaspiro[4.5]decan-8-yl)indazole is c1ccc2c(c1)cnn2C1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxaspiro[4.5]decan-8-yl)indazole?
The InChIKey is FHZAFDDVGAYKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-4-14-12(3-1)11-16-17(14)13-5-7-15(8-6-13)18-9-10-19-15/h1-4,11,13H,5-10H2.
What are the key properties of 1-(1,4-dioxaspiro[4.5]decan-8-yl)indazole?
1-(1,4-dioxaspiro[4.5]decan-8-yl)indazole has a molecular weight of 258.32 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.5]decan-8-yl)indazole is sourced from PubChem (CID 59541145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).