6-ethyl-1,2-dihydroindazol-3-one

C9H10N2O — CID 70315708

IUPAC6-ethyl-1,2-dihydroindazol-3-one
SMILESCCc1ccc2c(=O)[nH][nH]c2c1
InChIInChI=1S/C9H10N2O/c1-2-6-3-4-7-8(5-6)10-11-9(7)12/h3-5H,2H2,1H3,(H2,10,11,12)
InChIKeyJOTGYJLFTINQCE-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.42
Rot. Bonds1

About 6-ethyl-1,2-dihydroindazol-3-one

6-ethyl-1,2-dihydroindazol-3-one (PubChem CID 70315708) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 6-ethyl-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-ethyl-1,2-dihydroindazol-3-one
PubChem CID70315708
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name6-ethyl-1,2-dihydroindazol-3-one
SMILESCCc1ccc2c(=O)[nH][nH]c2c1
InChIInChI=1S/C9H10N2O/c1-2-6-3-4-7-8(5-6)10-11-9(7)12/h3-5H,2H2,1H3,(H2,10,11,12)
InChIKeyJOTGYJLFTINQCE-UHFFFAOYSA-N
XLogP1.42
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,2-dihydroindazol-3-one?
The IUPAC name of 6-ethyl-1,2-dihydroindazol-3-one (CID 70315708) is 6-ethyl-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-ethyl-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-ethyl-1,2-dihydroindazol-3-one is CCc1ccc2c(=O)[nH][nH]c2c1.
What is the InChIKey of 6-ethyl-1,2-dihydroindazol-3-one?
The InChIKey is JOTGYJLFTINQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-2-6-3-4-7-8(5-6)10-11-9(7)12/h3-5H,2H2,1H3,(H2,10,11,12).
What are the key properties of 6-ethyl-1,2-dihydroindazol-3-one?
6-ethyl-1,2-dihydroindazol-3-one has a molecular weight of 162.19 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,2-dihydroindazol-3-one is sourced from PubChem (CID 70315708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).