5-methyl-2,3a-dihydroindazol-3-one

C8H8N2O — CID 126714855

IUPAC5-methyl-2,3a-dihydroindazol-3-one
SMILESCC1=CC2C(=O)NN=C2C=C1
InChIInChI=1S/C8H8N2O/c1-5-2-3-7-6(4-5)8(11)10-9-7/h2-4,6H,1H3,(H,10,11)
InChIKeyVURHESDTTLISQN-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.60
Rot. Bonds

About 5-methyl-2,3a-dihydroindazol-3-one

5-methyl-2,3a-dihydroindazol-3-one (PubChem CID 126714855) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 5-methyl-2,3a-dihydroindazol-3-one.

Molecular Properties

Compound Name5-methyl-2,3a-dihydroindazol-3-one
PubChem CID126714855
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name5-methyl-2,3a-dihydroindazol-3-one
SMILESCC1=CC2C(=O)NN=C2C=C1
InChIInChI=1S/C8H8N2O/c1-5-2-3-7-6(4-5)8(11)10-9-7/h2-4,6H,1H3,(H,10,11)
InChIKeyVURHESDTTLISQN-UHFFFAOYSA-N
XLogP0.60
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3a-dihydroindazol-3-one?
The IUPAC name of 5-methyl-2,3a-dihydroindazol-3-one (CID 126714855) is 5-methyl-2,3a-dihydroindazol-3-one.
What is the SMILES notation for 5-methyl-2,3a-dihydroindazol-3-one?
The canonical SMILES for 5-methyl-2,3a-dihydroindazol-3-one is CC1=CC2C(=O)NN=C2C=C1.
What is the InChIKey of 5-methyl-2,3a-dihydroindazol-3-one?
The InChIKey is VURHESDTTLISQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-5-2-3-7-6(4-5)8(11)10-9-7/h2-4,6H,1H3,(H,10,11).
What are the key properties of 5-methyl-2,3a-dihydroindazol-3-one?
5-methyl-2,3a-dihydroindazol-3-one has a molecular weight of 148.16 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3a-dihydroindazol-3-one is sourced from PubChem (CID 126714855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).