2,7-dihydroindazol-3-one

C7H6N2O — CID 68805202

IUPAC2,7-dihydroindazol-3-one
SMILESO=C1NN=C2CC=CC=C12
InChIInChI=1S/C7H6N2O/c10-7-5-3-1-2-4-6(5)8-9-7/h1-3H,4H2,(H,9,10)
InChIKeyVCGYSXPLBCDQTQ-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.36
Rot. Bonds

About 2,7-dihydroindazol-3-one

2,7-dihydroindazol-3-one (PubChem CID 68805202) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 2,7-dihydroindazol-3-one.

Molecular Properties

Compound Name2,7-dihydroindazol-3-one
PubChem CID68805202
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name2,7-dihydroindazol-3-one
SMILESO=C1NN=C2CC=CC=C12
InChIInChI=1S/C7H6N2O/c10-7-5-3-1-2-4-6(5)8-9-7/h1-3H,4H2,(H,9,10)
InChIKeyVCGYSXPLBCDQTQ-UHFFFAOYSA-N
XLogP0.36
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,7-dihydroindazol-3-one?
The IUPAC name of 2,7-dihydroindazol-3-one (CID 68805202) is 2,7-dihydroindazol-3-one.
What is the SMILES notation for 2,7-dihydroindazol-3-one?
The canonical SMILES for 2,7-dihydroindazol-3-one is O=C1NN=C2CC=CC=C12.
What is the InChIKey of 2,7-dihydroindazol-3-one?
The InChIKey is VCGYSXPLBCDQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c10-7-5-3-1-2-4-6(5)8-9-7/h1-3H,4H2,(H,9,10).
What are the key properties of 2,7-dihydroindazol-3-one?
2,7-dihydroindazol-3-one has a molecular weight of 134.14 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dihydroindazol-3-one is sourced from PubChem (CID 68805202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).