3-(6-tert-butylindazol-1-yl)cyclobutan-1-one

C15H18N2O — CID 153116909

IUPAC3-(6-tert-butylindazol-1-yl)cyclobutan-1-one
SMILESCC(C)(C)c1ccc2cnn(C3CC(=O)C3)c2c1
InChIInChI=1S/C15H18N2O/c1-15(2,3)11-5-4-10-9-16-17(14(10)6-11)12-7-13(18)8-12/h4-6,9,12H,7-8H2,1-3H3
InChIKeyVUBPINYXYRPJHG-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.24
Rot. Bonds1

About 3-(6-tert-butylindazol-1-yl)cyclobutan-1-one

3-(6-tert-butylindazol-1-yl)cyclobutan-1-one (PubChem CID 153116909) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-(6-tert-butylindazol-1-yl)cyclobutan-1-one.

Molecular Properties

Compound Name3-(6-tert-butylindazol-1-yl)cyclobutan-1-one
PubChem CID153116909
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-(6-tert-butylindazol-1-yl)cyclobutan-1-one
SMILESCC(C)(C)c1ccc2cnn(C3CC(=O)C3)c2c1
InChIInChI=1S/C15H18N2O/c1-15(2,3)11-5-4-10-9-16-17(14(10)6-11)12-7-13(18)8-12/h4-6,9,12H,7-8H2,1-3H3
InChIKeyVUBPINYXYRPJHG-UHFFFAOYSA-N
XLogP3.24
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(6-tert-butylindazol-1-yl)cyclobutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butylindazol-1-yl)cyclobutan-1-one?
The IUPAC name of 3-(6-tert-butylindazol-1-yl)cyclobutan-1-one (CID 153116909) is 3-(6-tert-butylindazol-1-yl)cyclobutan-1-one.
What is the SMILES notation for 3-(6-tert-butylindazol-1-yl)cyclobutan-1-one?
The canonical SMILES for 3-(6-tert-butylindazol-1-yl)cyclobutan-1-one is CC(C)(C)c1ccc2cnn(C3CC(=O)C3)c2c1.
What is the InChIKey of 3-(6-tert-butylindazol-1-yl)cyclobutan-1-one?
The InChIKey is VUBPINYXYRPJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-15(2,3)11-5-4-10-9-16-17(14(10)6-11)12-7-13(18)8-12/h4-6,9,12H,7-8H2,1-3H3.
What are the key properties of 3-(6-tert-butylindazol-1-yl)cyclobutan-1-one?
3-(6-tert-butylindazol-1-yl)cyclobutan-1-one has a molecular weight of 242.32 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-tert-butylindazol-1-yl)cyclobutan-1-one is sourced from PubChem (CID 153116909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).