2-methyl-3,3a-dihydroindazole

C8H10N2 — CID 69411514

IUPAC2-methyl-3,3a-dihydroindazole
SMILESCN1CC2C=CC=CC2=N1
InChIInChI=1S/C8H10N2/c1-10-6-7-4-2-3-5-8(7)9-10/h2-5,7H,6H2,1H3
InChIKeyFBOHXLVHZGTLHW-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.03
Rot. Bonds

About 2-methyl-3,3a-dihydroindazole

2-methyl-3,3a-dihydroindazole (PubChem CID 69411514) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-methyl-3,3a-dihydroindazole.

Molecular Properties

Compound Name2-methyl-3,3a-dihydroindazole
PubChem CID69411514
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2-methyl-3,3a-dihydroindazole
SMILESCN1CC2C=CC=CC2=N1
InChIInChI=1S/C8H10N2/c1-10-6-7-4-2-3-5-8(7)9-10/h2-5,7H,6H2,1H3
InChIKeyFBOHXLVHZGTLHW-UHFFFAOYSA-N
XLogP1.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,3a-dihydroindazole?
The IUPAC name of 2-methyl-3,3a-dihydroindazole (CID 69411514) is 2-methyl-3,3a-dihydroindazole.
What is the SMILES notation for 2-methyl-3,3a-dihydroindazole?
The canonical SMILES for 2-methyl-3,3a-dihydroindazole is CN1CC2C=CC=CC2=N1.
What is the InChIKey of 2-methyl-3,3a-dihydroindazole?
The InChIKey is FBOHXLVHZGTLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-10-6-7-4-2-3-5-8(7)9-10/h2-5,7H,6H2,1H3.
What are the key properties of 2-methyl-3,3a-dihydroindazole?
2-methyl-3,3a-dihydroindazole has a molecular weight of 134.18 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,3a-dihydroindazole is sourced from PubChem (CID 69411514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).