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

C9H16N2 — CID 146293665

IUPAC3-methyl-4-methylidene-1,2,3,3a,5,6,7,7a-octahydroindazole
SMILESC=C1CCCC2NNC(C)C12
InChIInChI=1S/C9H16N2/c1-6-4-3-5-8-9(6)7(2)10-11-8/h7-11H,1,3-5H2,2H3
InChIKeyJZSDWQVMSUDURD-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.21
Rot. Bonds

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

3-methyl-4-methylidene-1,2,3,3a,5,6,7,7a-octahydroindazole (PubChem CID 146293665) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-methyl-4-methylidene-1,2,3,3a,5,6,7,7a-octahydroindazole.

Molecular Properties

Compound Name3-methyl-4-methylidene-1,2,3,3a,5,6,7,7a-octahydroindazole
PubChem CID146293665
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-methyl-4-methylidene-1,2,3,3a,5,6,7,7a-octahydroindazole
SMILESC=C1CCCC2NNC(C)C12
InChIInChI=1S/C9H16N2/c1-6-4-3-5-8-9(6)7(2)10-11-8/h7-11H,1,3-5H2,2H3
InChIKeyJZSDWQVMSUDURD-UHFFFAOYSA-N
XLogP1.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-methylidene-1,2,3,3a,5,6,7,7a-octahydroindazole?
The IUPAC name of 3-methyl-4-methylidene-1,2,3,3a,5,6,7,7a-octahydroindazole (CID 146293665) is 3-methyl-4-methylidene-1,2,3,3a,5,6,7,7a-octahydroindazole.
What is the SMILES notation for 3-methyl-4-methylidene-1,2,3,3a,5,6,7,7a-octahydroindazole?
The canonical SMILES for 3-methyl-4-methylidene-1,2,3,3a,5,6,7,7a-octahydroindazole is C=C1CCCC2NNC(C)C12.
What is the InChIKey of 3-methyl-4-methylidene-1,2,3,3a,5,6,7,7a-octahydroindazole?
The InChIKey is JZSDWQVMSUDURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-6-4-3-5-8-9(6)7(2)10-11-8/h7-11H,1,3-5H2,2H3.
What are the key properties of 3-methyl-4-methylidene-1,2,3,3a,5,6,7,7a-octahydroindazole?
3-methyl-4-methylidene-1,2,3,3a,5,6,7,7a-octahydroindazole has a molecular weight of 152.24 g/mol, XLogP of 1.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methylidene-1,2,3,3a,5,6,7,7a-octahydroindazole is sourced from PubChem (CID 146293665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).