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

C10H18N2 — CID 91137495

IUPAC1,3-dimethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole
SMILESC=C1CCC2C(C1)C(C)NN2C
InChIInChI=1S/C10H18N2/c1-7-4-5-10-9(6-7)8(2)11-12(10)3/h8-11H,1,4-6H2,2-3H3
InChIKeySTLPTNOUDZLAPF-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.55
Rot. Bonds

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

1,3-dimethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole (PubChem CID 91137495) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1,3-dimethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole.

Molecular Properties

Compound Name1,3-dimethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole
PubChem CID91137495
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1,3-dimethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole
SMILESC=C1CCC2C(C1)C(C)NN2C
InChIInChI=1S/C10H18N2/c1-7-4-5-10-9(6-7)8(2)11-12(10)3/h8-11H,1,4-6H2,2-3H3
InChIKeySTLPTNOUDZLAPF-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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Related Compounds

2,3-Dimethyl-1,3,3a,4,5,6,7,7a-octahydroindazole
CID 89687885
1,3-Dimethyl-2,3,3a,4,5,6,7,7a-octahydroindazole
CID 90345951
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-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
1-ethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole
CID 91361943
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-Ethyl-2-methyl-1,3,3a,4,5,6,7,7a-octahydroindazole
CID 132245353
1-Methyl-3-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindazole
CID 140573460

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole?
The IUPAC name of 1,3-dimethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole (CID 91137495) is 1,3-dimethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole.
What is the SMILES notation for 1,3-dimethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole?
The canonical SMILES for 1,3-dimethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole is C=C1CCC2C(C1)C(C)NN2C.
What is the InChIKey of 1,3-dimethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole?
The InChIKey is STLPTNOUDZLAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-7-4-5-10-9(6-7)8(2)11-12(10)3/h8-11H,1,4-6H2,2-3H3.
What are the key properties of 1,3-dimethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole?
1,3-dimethyl-5-methylidene-3,3a,4,6,7,7a-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-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole is sourced from PubChem (CID 91137495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).