1,2-dihydroindazol-3-ylidenemethanone

C8H6N2O — CID 87550381

IUPAC1,2-dihydroindazol-3-ylidenemethanone
SMILESO=C=C1NNc2ccccc21
InChIInChI=1S/C8H6N2O/c11-5-8-6-3-1-2-4-7(6)9-10-8/h1-4,9-10H
InChIKeyKBTREDNHYKKSCJ-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.79
Rot. Bonds

About 1,2-dihydroindazol-3-ylidenemethanone

1,2-dihydroindazol-3-ylidenemethanone (PubChem CID 87550381) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 1,2-dihydroindazol-3-ylidenemethanone.

Molecular Properties

Compound Name1,2-dihydroindazol-3-ylidenemethanone
PubChem CID87550381
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name1,2-dihydroindazol-3-ylidenemethanone
SMILESO=C=C1NNc2ccccc21
InChIInChI=1S/C8H6N2O/c11-5-8-6-3-1-2-4-7(6)9-10-8/h1-4,9-10H
InChIKeyKBTREDNHYKKSCJ-UHFFFAOYSA-N
XLogP0.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroindazol-3-ylidenemethanone?
The IUPAC name of 1,2-dihydroindazol-3-ylidenemethanone (CID 87550381) is 1,2-dihydroindazol-3-ylidenemethanone.
What is the SMILES notation for 1,2-dihydroindazol-3-ylidenemethanone?
The canonical SMILES for 1,2-dihydroindazol-3-ylidenemethanone is O=C=C1NNc2ccccc21.
What is the InChIKey of 1,2-dihydroindazol-3-ylidenemethanone?
The InChIKey is KBTREDNHYKKSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-5-8-6-3-1-2-4-7(6)9-10-8/h1-4,9-10H.
What are the key properties of 1,2-dihydroindazol-3-ylidenemethanone?
1,2-dihydroindazol-3-ylidenemethanone has a molecular weight of 146.15 g/mol, XLogP of 0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroindazol-3-ylidenemethanone is sourced from PubChem (CID 87550381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).