2-tert-butylspiro[6,7-dihydro-5H-indazole-4,3'-oxetane]

C13H20N2O — CID 170203441

IUPAC2-tert-butylspiro[6,7-dihydro-5H-indazole-4,3'-oxetane]
SMILESCC(C)(C)n1cc2c(n1)CCCC21COC1
InChIInChI=1S/C13H20N2O/c1-12(2,3)15-7-10-11(14-15)5-4-6-13(10)8-16-9-13/h7H,4-6,8-9H2,1-3H3
InChIKeyGDOVGYOSRPYHSN-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.24
Rot. Bonds

About 2-tert-butylspiro[6,7-dihydro-5H-indazole-4,3'-oxetane]

2-tert-butylspiro[6,7-dihydro-5H-indazole-4,3'-oxetane] (PubChem CID 170203441) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-tert-butylspiro[6,7-dihydro-5H-indazole-4,3'-oxetane].

Molecular Properties

Compound Name2-tert-butylspiro[6,7-dihydro-5H-indazole-4,3'-oxetane]
PubChem CID170203441
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-tert-butylspiro[6,7-dihydro-5H-indazole-4,3'-oxetane]
SMILESCC(C)(C)n1cc2c(n1)CCCC21COC1
InChIInChI=1S/C13H20N2O/c1-12(2,3)15-7-10-11(14-15)5-4-6-13(10)8-16-9-13/h7H,4-6,8-9H2,1-3H3
InChIKeyGDOVGYOSRPYHSN-UHFFFAOYSA-N
XLogP2.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylspiro[6,7-dihydro-5H-indazole-4,3'-oxetane]?
The IUPAC name of 2-tert-butylspiro[6,7-dihydro-5H-indazole-4,3'-oxetane] (CID 170203441) is 2-tert-butylspiro[6,7-dihydro-5H-indazole-4,3'-oxetane].
What is the SMILES notation for 2-tert-butylspiro[6,7-dihydro-5H-indazole-4,3'-oxetane]?
The canonical SMILES for 2-tert-butylspiro[6,7-dihydro-5H-indazole-4,3'-oxetane] is CC(C)(C)n1cc2c(n1)CCCC21COC1.
What is the InChIKey of 2-tert-butylspiro[6,7-dihydro-5H-indazole-4,3'-oxetane]?
The InChIKey is GDOVGYOSRPYHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-12(2,3)15-7-10-11(14-15)5-4-6-13(10)8-16-9-13/h7H,4-6,8-9H2,1-3H3.
What are the key properties of 2-tert-butylspiro[6,7-dihydro-5H-indazole-4,3'-oxetane]?
2-tert-butylspiro[6,7-dihydro-5H-indazole-4,3'-oxetane] has a molecular weight of 220.32 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylspiro[6,7-dihydro-5H-indazole-4,3'-oxetane] is sourced from PubChem (CID 170203441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).