4-methyl-1,2-dihydroindazol-3-one

C8H8N2O — CID 24728231

IUPAC4-methyl-1,2-dihydroindazol-3-one
SMILESCc1cccc2[nH][nH]c(=O)c12
InChIInChI=1S/C8H8N2O/c1-5-3-2-4-6-7(5)8(11)10-9-6/h2-4H,1H3,(H2,9,10,11)
InChIKeyGOKXKZXHPSLIDH-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.16
Rot. Bonds

About 4-methyl-1,2-dihydroindazol-3-one

4-methyl-1,2-dihydroindazol-3-one (PubChem CID 24728231) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 4-methyl-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name4-methyl-1,2-dihydroindazol-3-one
PubChem CID24728231
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name4-methyl-1,2-dihydroindazol-3-one
SMILESCc1cccc2[nH][nH]c(=O)c12
InChIInChI=1S/C8H8N2O/c1-5-3-2-4-6-7(5)8(11)10-9-6/h2-4H,1H3,(H2,9,10,11)
InChIKeyGOKXKZXHPSLIDH-UHFFFAOYSA-N
XLogP1.16
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2-dihydroindazol-3-one?
The IUPAC name of 4-methyl-1,2-dihydroindazol-3-one (CID 24728231) is 4-methyl-1,2-dihydroindazol-3-one.
What is the SMILES notation for 4-methyl-1,2-dihydroindazol-3-one?
The canonical SMILES for 4-methyl-1,2-dihydroindazol-3-one is Cc1cccc2[nH][nH]c(=O)c12.
What is the InChIKey of 4-methyl-1,2-dihydroindazol-3-one?
The InChIKey is GOKXKZXHPSLIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-5-3-2-4-6-7(5)8(11)10-9-6/h2-4H,1H3,(H2,9,10,11).
What are the key properties of 4-methyl-1,2-dihydroindazol-3-one?
4-methyl-1,2-dihydroindazol-3-one has a molecular weight of 148.16 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2-dihydroindazol-3-one is sourced from PubChem (CID 24728231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).