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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Related Compounds

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CID 176518994
3,4-dihydro-2H-isoquinolin-1-ylidenemethanone;hydrate
CID 176520579
1,2,4,5-tetrahydro-1,2-benzodiazepin-3-ylidenemethanone
CID 88832954
(4-imino-1,2-dihydroquinolin-3-ylidene)methanone
CID 176523016
7-azabicyclo[4.2.0]octa-1,3,5-triene-8-thione
CID 54163688
5,6-dihydroisochromeno[4,3-c]cinnolin-12-one
CID 170972424
1-(5,10-dihydrophenazin-1-yl)-5,10-dihydrophenazine
CID 150257947
1,2,3,4-tetrahydro-1,3-benzodiazepin-5-one
CID 121437311
2,3-dihydro-1H-quinolin-4-one;ethane
CID 91530065
acetonitrile;biphenylene
CID 23213528
anthracene-9,10-dione;platinum(2+);dichloride
CID 174702138
10H-anthracen-10-ylium-9-ylidenemethanone
CID 100955933

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).