3'-ethylspiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole]

C11H16N2O2 — CID 90378125

IUPAC3'-ethylspiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole]
SMILESCCc1n[nH]c2c1CC1(CC2)OCCO1
InChIInChI=1S/C11H16N2O2/c1-2-9-8-7-11(14-5-6-15-11)4-3-10(8)13-12-9/h2-7H2,1H3,(H,12,13)
InChIKeyTYFSFQFIOCNTSH-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.20
Rot. Bonds1

About 3'-ethylspiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole]

3'-ethylspiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole] (PubChem CID 90378125) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3'-ethylspiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole].

Molecular Properties

Compound Name3'-ethylspiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole]
PubChem CID90378125
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3'-ethylspiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole]
SMILESCCc1n[nH]c2c1CC1(CC2)OCCO1
InChIInChI=1S/C11H16N2O2/c1-2-9-8-7-11(14-5-6-15-11)4-3-10(8)13-12-9/h2-7H2,1H3,(H,12,13)
InChIKeyTYFSFQFIOCNTSH-UHFFFAOYSA-N
XLogP1.20
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3'-ethylspiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole]?
The IUPAC name of 3'-ethylspiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole] (CID 90378125) is 3'-ethylspiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole].
What is the SMILES notation for 3'-ethylspiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole]?
The canonical SMILES for 3'-ethylspiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole] is CCc1n[nH]c2c1CC1(CC2)OCCO1.
What is the InChIKey of 3'-ethylspiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole]?
The InChIKey is TYFSFQFIOCNTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-9-8-7-11(14-5-6-15-11)4-3-10(8)13-12-9/h2-7H2,1H3,(H,12,13).
What are the key properties of 3'-ethylspiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole]?
3'-ethylspiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole] has a molecular weight of 208.26 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-ethylspiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole] is sourced from PubChem (CID 90378125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).