1-ethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole

C10H18N2 — CID 91361943

IUPAC1-ethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole
SMILESC=C1CCC2C(CNN2CC)C1
InChIInChI=1S/C10H18N2/c1-3-12-10-5-4-8(2)6-9(10)7-11-12/h9-11H,2-7H2,1H3
InChIKeyGCZVGNGDDQFPIK-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.55
Rot. Bonds1

About 1-ethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole

1-ethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole (PubChem CID 91361943) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-ethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole.

Molecular Properties

Compound Name1-ethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole
PubChem CID91361943
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-ethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole
SMILESC=C1CCC2C(CNN2CC)C1
InChIInChI=1S/C10H18N2/c1-3-12-10-5-4-8(2)6-9(10)7-11-12/h9-11H,2-7H2,1H3
InChIKeyGCZVGNGDDQFPIK-UHFFFAOYSA-N
XLogP1.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazol-3-amine
CID 90816537
1-methyl-7-methylidene-3,3a,4,5,6,7a-hexahydro-2H-indazole
CID 90846587
4-Methylidene-1,2,3,3a,5,6,7,7a-octahydroindazole
CID 90861354
1,3-dimethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole
CID 91137495
1-methyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole
CID 91281214
5-Methylidene-1,2,3,3a,4,6,7,7a-octahydroindazole
CID 91292382
N,3-dimethyl-1-(3-methylidene-1,2,3a,4,5,6,7,7a-octahydroindol-2-yl)butan-2-amine
CID 117925116
2-Methyl-1,3,3a,4,5,6,7,7a-octahydroindazole
CID 123423042
3-Methyl-4-methylidene-1,2,3,3a,5,6,7,7a-octahydroindazole
CID 146293665
1-iodo-3-methyl-4-methylidene-3,3a,5,6,7,7a-hexahydro-2H-indazole
CID 146293787
1,3-dimethyl-4-methylidene-3,3a,5,6,7,7a-hexahydro-2H-indazole
CID 146293917
4-Ethyl-1-methyl-3-(3-methylbut-3-enyl)pyrazolidine
CID 156193881

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole?
The IUPAC name of 1-ethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole (CID 91361943) is 1-ethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole.
What is the SMILES notation for 1-ethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole?
The canonical SMILES for 1-ethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole is C=C1CCC2C(CNN2CC)C1.
What is the InChIKey of 1-ethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole?
The InChIKey is GCZVGNGDDQFPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-12-10-5-4-8(2)6-9(10)7-11-12/h9-11H,2-7H2,1H3.
What are the key properties of 1-ethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole?
1-ethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole has a molecular weight of 166.27 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole is sourced from PubChem (CID 91361943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).