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

C8H14N2 — CID 91292382

IUPAC5-methylidene-1,2,3,3a,4,6,7,7a-octahydroindazole
SMILESC=C1CCC2NNCC2C1
InChIInChI=1S/C8H14N2/c1-6-2-3-8-7(4-6)5-9-10-8/h7-10H,1-5H2
InChIKeyFVLMWFKEQMONEM-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.82
Rot. Bonds

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

5-methylidene-1,2,3,3a,4,6,7,7a-octahydroindazole (PubChem CID 91292382) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-methylidene-1,2,3,3a,4,6,7,7a-octahydroindazole.

Molecular Properties

Compound Name5-methylidene-1,2,3,3a,4,6,7,7a-octahydroindazole
PubChem CID91292382
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name5-methylidene-1,2,3,3a,4,6,7,7a-octahydroindazole
SMILESC=C1CCC2NNCC2C1
InChIInChI=1S/C8H14N2/c1-6-2-3-8-7(4-6)5-9-10-8/h7-10H,1-5H2
InChIKeyFVLMWFKEQMONEM-UHFFFAOYSA-N
XLogP0.82
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-methylidene-2,3,4,4a,5,6,8,8a-octahydro-1H-isoquinoline
CID 90686018
6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline-2-carbonitrile
CID 123856788
4-chloro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinazoline
CID 91019306
6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline-2-carboxamide
CID 123639307
1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-c]pyrazole;hydrochloride
CID 170905962
(6-methylidene-3,3a,4,5,7,7a-hexahydro-1H-isoindol-2-yl)phosphane
CID 58885312
5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole;hydrochloride
CID 170905820
(1R)-1-methyl-3-methylidenecyclopentane
CID 58904772
1-bromo-2-chloro-4-methylidenecyclohexane
CID 91109403
(3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[b]pyrrole
CID 141370251
(3aR,6aS)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalene
CID 13462494
tert-butyl 1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 57218991

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1,2,3,3a,4,6,7,7a-octahydroindazole?
The IUPAC name of 5-methylidene-1,2,3,3a,4,6,7,7a-octahydroindazole (CID 91292382) is 5-methylidene-1,2,3,3a,4,6,7,7a-octahydroindazole.
What is the SMILES notation for 5-methylidene-1,2,3,3a,4,6,7,7a-octahydroindazole?
The canonical SMILES for 5-methylidene-1,2,3,3a,4,6,7,7a-octahydroindazole is C=C1CCC2NNCC2C1.
What is the InChIKey of 5-methylidene-1,2,3,3a,4,6,7,7a-octahydroindazole?
The InChIKey is FVLMWFKEQMONEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6-2-3-8-7(4-6)5-9-10-8/h7-10H,1-5H2.
What are the key properties of 5-methylidene-1,2,3,3a,4,6,7,7a-octahydroindazole?
5-methylidene-1,2,3,3a,4,6,7,7a-octahydroindazole has a molecular weight of 138.21 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1,2,3,3a,4,6,7,7a-octahydroindazole is sourced from PubChem (CID 91292382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).