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

C11H16N2O2 — CID 71271919

IUPAC1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole
SMILESc1cnn(C2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C11H16N2O2/c1-6-12-13(7-1)10-2-4-11(5-3-10)14-8-9-15-11/h1,6-7,10H,2-5,8-9H2
InChIKeyVCSCCRGTZQLULV-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.74
Rot. Bonds1

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

1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole (PubChem CID 71271919) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole
PubChem CID71271919
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole
SMILESc1cnn(C2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C11H16N2O2/c1-6-12-13(7-1)10-2-4-11(5-3-10)14-8-9-15-11/h1,6-7,10H,2-5,8-9H2
InChIKeyVCSCCRGTZQLULV-UHFFFAOYSA-N
XLogP1.74
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.74
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)pyrazole?
The IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole (CID 71271919) is 1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole?
The canonical SMILES for 1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole is c1cnn(C2CCC3(CC2)OCCO3)c1.
What is the InChIKey of 1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole?
The InChIKey is VCSCCRGTZQLULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-6-12-13(7-1)10-2-4-11(5-3-10)14-8-9-15-11/h1,6-7,10H,2-5,8-9H2.
What are the key properties of 1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole?
1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole has a molecular weight of 208.26 g/mol, XLogP of 1.74, 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)pyrazole is sourced from PubChem (CID 71271919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).