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

C10H18N2 — CID 146293917

IUPAC1,3-dimethyl-4-methylidene-3,3a,5,6,7,7a-hexahydro-2H-indazole
SMILESC=C1CCCC2C1C(C)NN2C
InChIInChI=1S/C10H18N2/c1-7-5-4-6-9-10(7)8(2)11-12(9)3/h8-11H,1,4-6H2,2-3H3
InChIKeyMKRHJTFZISFIRJ-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.55
Rot. Bonds

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

1,3-dimethyl-4-methylidene-3,3a,5,6,7,7a-hexahydro-2H-indazole (PubChem CID 146293917) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1,3-dimethyl-4-methylidene-3,3a,5,6,7,7a-hexahydro-2H-indazole.

Molecular Properties

Compound Name1,3-dimethyl-4-methylidene-3,3a,5,6,7,7a-hexahydro-2H-indazole
PubChem CID146293917
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1,3-dimethyl-4-methylidene-3,3a,5,6,7,7a-hexahydro-2H-indazole
SMILESC=C1CCCC2C1C(C)NN2C
InChIInChI=1S/C10H18N2/c1-7-5-4-6-9-10(7)8(2)11-12(9)3/h8-11H,1,4-6H2,2-3H3
InChIKeyMKRHJTFZISFIRJ-UHFFFAOYSA-N
XLogP1.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-methylidene-3,3a,5,6,7,7a-hexahydro-2H-indazole?
The IUPAC name of 1,3-dimethyl-4-methylidene-3,3a,5,6,7,7a-hexahydro-2H-indazole (CID 146293917) is 1,3-dimethyl-4-methylidene-3,3a,5,6,7,7a-hexahydro-2H-indazole.
What is the SMILES notation for 1,3-dimethyl-4-methylidene-3,3a,5,6,7,7a-hexahydro-2H-indazole?
The canonical SMILES for 1,3-dimethyl-4-methylidene-3,3a,5,6,7,7a-hexahydro-2H-indazole is C=C1CCCC2C1C(C)NN2C.
What is the InChIKey of 1,3-dimethyl-4-methylidene-3,3a,5,6,7,7a-hexahydro-2H-indazole?
The InChIKey is MKRHJTFZISFIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-7-5-4-6-9-10(7)8(2)11-12(9)3/h8-11H,1,4-6H2,2-3H3.
What are the key properties of 1,3-dimethyl-4-methylidene-3,3a,5,6,7,7a-hexahydro-2H-indazole?
1,3-dimethyl-4-methylidene-3,3a,5,6,7,7a-hexahydro-2H-indazole has a molecular weight of 166.27 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-methylidene-3,3a,5,6,7,7a-hexahydro-2H-indazole is sourced from PubChem (CID 146293917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).