2-methyl-1,3,3a,4,5,6,7,7a-octahydroindazole

C8H16N2 — CID 123423042

IUPAC2-methyl-1,3,3a,4,5,6,7,7a-octahydroindazole
SMILESCN1CC2CCCCC2N1
InChIInChI=1S/C8H16N2/c1-10-6-7-4-2-3-5-8(7)9-10/h7-9H,2-6H2,1H3
InChIKeyLFGNDILWCLPQPH-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.00
Rot. Bonds

About 2-methyl-1,3,3a,4,5,6,7,7a-octahydroindazole

2-methyl-1,3,3a,4,5,6,7,7a-octahydroindazole (PubChem CID 123423042) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-methyl-1,3,3a,4,5,6,7,7a-octahydroindazole.

Molecular Properties

Compound Name2-methyl-1,3,3a,4,5,6,7,7a-octahydroindazole
PubChem CID123423042
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-methyl-1,3,3a,4,5,6,7,7a-octahydroindazole
SMILESCN1CC2CCCCC2N1
InChIInChI=1S/C8H16N2/c1-10-6-7-4-2-3-5-8(7)9-10/h7-9H,2-6H2,1H3
InChIKeyLFGNDILWCLPQPH-UHFFFAOYSA-N
XLogP1.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3,3a,4,5,6,7,7a-octahydroindazole?
The IUPAC name of 2-methyl-1,3,3a,4,5,6,7,7a-octahydroindazole (CID 123423042) is 2-methyl-1,3,3a,4,5,6,7,7a-octahydroindazole.
What is the SMILES notation for 2-methyl-1,3,3a,4,5,6,7,7a-octahydroindazole?
The canonical SMILES for 2-methyl-1,3,3a,4,5,6,7,7a-octahydroindazole is CN1CC2CCCCC2N1.
What is the InChIKey of 2-methyl-1,3,3a,4,5,6,7,7a-octahydroindazole?
The InChIKey is LFGNDILWCLPQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-10-6-7-4-2-3-5-8(7)9-10/h7-9H,2-6H2,1H3.
What are the key properties of 2-methyl-1,3,3a,4,5,6,7,7a-octahydroindazole?
2-methyl-1,3,3a,4,5,6,7,7a-octahydroindazole has a molecular weight of 140.23 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3,3a,4,5,6,7,7a-octahydroindazole is sourced from PubChem (CID 123423042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).