tert-butyl indazol-1-yl carbonate

C12H14N2O3 — CID 68841004

IUPACtert-butyl indazol-1-yl carbonate
SMILESCC(C)(C)OC(=O)On1ncc2ccccc21
InChIInChI=1S/C12H14N2O3/c1-12(2,3)16-11(15)17-14-10-7-5-4-6-9(10)8-13-14/h4-8H,1-3H3
InChIKeyGUGMJLXRHCBHKL-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.40
Rot. Bonds1

About tert-butyl indazol-1-yl carbonate

tert-butyl indazol-1-yl carbonate (PubChem CID 68841004) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is tert-butyl indazol-1-yl carbonate.

Molecular Properties

Compound Nametert-butyl indazol-1-yl carbonate
PubChem CID68841004
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Nametert-butyl indazol-1-yl carbonate
SMILESCC(C)(C)OC(=O)On1ncc2ccccc21
InChIInChI=1S/C12H14N2O3/c1-12(2,3)16-11(15)17-14-10-7-5-4-6-9(10)8-13-14/h4-8H,1-3H3
InChIKeyGUGMJLXRHCBHKL-UHFFFAOYSA-N
XLogP2.40
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl indazol-1-yl carbonate?
The IUPAC name of tert-butyl indazol-1-yl carbonate (CID 68841004) is tert-butyl indazol-1-yl carbonate.
What is the SMILES notation for tert-butyl indazol-1-yl carbonate?
The canonical SMILES for tert-butyl indazol-1-yl carbonate is CC(C)(C)OC(=O)On1ncc2ccccc21.
What is the InChIKey of tert-butyl indazol-1-yl carbonate?
The InChIKey is GUGMJLXRHCBHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-12(2,3)16-11(15)17-14-10-7-5-4-6-9(10)8-13-14/h4-8H,1-3H3.
What are the key properties of tert-butyl indazol-1-yl carbonate?
tert-butyl indazol-1-yl carbonate has a molecular weight of 234.25 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl indazol-1-yl carbonate is sourced from PubChem (CID 68841004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).