1-(3-cyclobutyl-2-methylindazol-6-yl)ethanone

C14H16N2O — CID 105485675

IUPAC1-(3-cyclobutyl-2-methylindazol-6-yl)ethanone
SMILESCC(=O)c1ccc2c(C3CCC3)n(C)nc2c1
InChIInChI=1S/C14H16N2O/c1-9(17)11-6-7-12-13(8-11)15-16(2)14(12)10-4-3-5-10/h6-8,10H,3-5H2,1-2H3
InChIKeyCEDGNAWNJNADHP-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.04
Rot. Bonds2

About 1-(3-cyclobutyl-2-methylindazol-6-yl)ethanone

1-(3-cyclobutyl-2-methylindazol-6-yl)ethanone (PubChem CID 105485675) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(3-cyclobutyl-2-methylindazol-6-yl)ethanone.

Molecular Properties

Compound Name1-(3-cyclobutyl-2-methylindazol-6-yl)ethanone
PubChem CID105485675
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-(3-cyclobutyl-2-methylindazol-6-yl)ethanone
SMILESCC(=O)c1ccc2c(C3CCC3)n(C)nc2c1
InChIInChI=1S/C14H16N2O/c1-9(17)11-6-7-12-13(8-11)15-16(2)14(12)10-4-3-5-10/h6-8,10H,3-5H2,1-2H3
InChIKeyCEDGNAWNJNADHP-UHFFFAOYSA-N
XLogP3.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyl-2-methylindazol-6-yl)ethanone?
The IUPAC name of 1-(3-cyclobutyl-2-methylindazol-6-yl)ethanone (CID 105485675) is 1-(3-cyclobutyl-2-methylindazol-6-yl)ethanone.
What is the SMILES notation for 1-(3-cyclobutyl-2-methylindazol-6-yl)ethanone?
The canonical SMILES for 1-(3-cyclobutyl-2-methylindazol-6-yl)ethanone is CC(=O)c1ccc2c(C3CCC3)n(C)nc2c1.
What is the InChIKey of 1-(3-cyclobutyl-2-methylindazol-6-yl)ethanone?
The InChIKey is CEDGNAWNJNADHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9(17)11-6-7-12-13(8-11)15-16(2)14(12)10-4-3-5-10/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 1-(3-cyclobutyl-2-methylindazol-6-yl)ethanone?
1-(3-cyclobutyl-2-methylindazol-6-yl)ethanone has a molecular weight of 228.30 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyl-2-methylindazol-6-yl)ethanone is sourced from PubChem (CID 105485675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).