2-methyl-5,6-dihydro-4H-indazol-7-one

C8H10N2O — CID 83872470

IUPAC2-methyl-5,6-dihydro-4H-indazol-7-one
SMILESCn1cc2c(n1)C(=O)CCC2
InChIInChI=1S/C8H10N2O/c1-10-5-6-3-2-4-7(11)8(6)9-10/h5H,2-4H2,1H3
InChIKeyFYZTUJZLRJVLCU-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.94
Rot. Bonds

About 2-methyl-5,6-dihydro-4H-indazol-7-one

2-methyl-5,6-dihydro-4H-indazol-7-one (PubChem CID 83872470) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-methyl-5,6-dihydro-4H-indazol-7-one.

Molecular Properties

Compound Name2-methyl-5,6-dihydro-4H-indazol-7-one
PubChem CID83872470
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-methyl-5,6-dihydro-4H-indazol-7-one
SMILESCn1cc2c(n1)C(=O)CCC2
InChIInChI=1S/C8H10N2O/c1-10-5-6-3-2-4-7(11)8(6)9-10/h5H,2-4H2,1H3
InChIKeyFYZTUJZLRJVLCU-UHFFFAOYSA-N
XLogP0.94
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6-dihydro-4H-indazol-7-one?
The IUPAC name of 2-methyl-5,6-dihydro-4H-indazol-7-one (CID 83872470) is 2-methyl-5,6-dihydro-4H-indazol-7-one.
What is the SMILES notation for 2-methyl-5,6-dihydro-4H-indazol-7-one?
The canonical SMILES for 2-methyl-5,6-dihydro-4H-indazol-7-one is Cn1cc2c(n1)C(=O)CCC2.
What is the InChIKey of 2-methyl-5,6-dihydro-4H-indazol-7-one?
The InChIKey is FYZTUJZLRJVLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-10-5-6-3-2-4-7(11)8(6)9-10/h5H,2-4H2,1H3.
What are the key properties of 2-methyl-5,6-dihydro-4H-indazol-7-one?
2-methyl-5,6-dihydro-4H-indazol-7-one has a molecular weight of 150.18 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6-dihydro-4H-indazol-7-one is sourced from PubChem (CID 83872470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).