1,3-dimethyl-5,7a-dihydroindazole;ethane

C11H18N2 — CID 90787896

IUPAC1,3-dimethyl-5,7a-dihydroindazole;ethane
SMILESCC.CC1=NN(C)C2C=CCC=C12
InChIInChI=1S/C9H12N2.C2H6/c1-7-8-5-3-4-6-9(8)11(2)10-7;1-2/h4-6,9H,3H2,1-2H3;1-2H3
InChIKeyWJHKYLPZZMZFPZ-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.59
Rot. Bonds

About 1,3-dimethyl-5,7a-dihydroindazole;ethane

1,3-dimethyl-5,7a-dihydroindazole;ethane (PubChem CID 90787896) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1,3-dimethyl-5,7a-dihydroindazole;ethane.

Molecular Properties

Compound Name1,3-dimethyl-5,7a-dihydroindazole;ethane
PubChem CID90787896
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1,3-dimethyl-5,7a-dihydroindazole;ethane
SMILESCC.CC1=NN(C)C2C=CCC=C12
InChIInChI=1S/C9H12N2.C2H6/c1-7-8-5-3-4-6-9(8)11(2)10-7;1-2/h4-6,9H,3H2,1-2H3;1-2H3
InChIKeyWJHKYLPZZMZFPZ-UHFFFAOYSA-N
XLogP2.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dimethyl-5,7a-dihydroindazole
CID 21336393
2,5-Dimethyl-3,3a-dihydroindazole
CID 57584886
N-methyl-N-(2-methylprop-2-enylideneamino)cyclohex-2-en-1-amine
CID 89320042
3-Methyl-5,7a-dihydroindazol-1-amine
CID 90977846
2-Methyl-4-propan-2-yl-3,7-dihydroindazole
CID 118124524
2,4-Dimethyl-3,7-dihydroindazole
CID 118133040
1-Methyl-5,7a-dihydroindazole
CID 123390047
2,5-Dimethyl-3,3a-dihydropyrazolo[1,5-a]pyridine
CID 123536790
6-ethenyl-3-ethyl-1-methyl-8aH-cinnoline
CID 123729667
1,3-Dimethyl-3a,7a-dihydroindazole
CID 129262293
3-ethenyl-N,N-dimethyl-3,3a-dihydroindazol-2-amine
CID 132196973
1,3,6-Trimethyl-3a,7a-dihydroindazole
CID 137503977

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5,7a-dihydroindazole;ethane?
The IUPAC name of 1,3-dimethyl-5,7a-dihydroindazole;ethane (CID 90787896) is 1,3-dimethyl-5,7a-dihydroindazole;ethane.
What is the SMILES notation for 1,3-dimethyl-5,7a-dihydroindazole;ethane?
The canonical SMILES for 1,3-dimethyl-5,7a-dihydroindazole;ethane is CC.CC1=NN(C)C2C=CCC=C12.
What is the InChIKey of 1,3-dimethyl-5,7a-dihydroindazole;ethane?
The InChIKey is WJHKYLPZZMZFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.C2H6/c1-7-8-5-3-4-6-9(8)11(2)10-7;1-2/h4-6,9H,3H2,1-2H3;1-2H3.
What are the key properties of 1,3-dimethyl-5,7a-dihydroindazole;ethane?
1,3-dimethyl-5,7a-dihydroindazole;ethane has a molecular weight of 178.28 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5,7a-dihydroindazole;ethane is sourced from PubChem (CID 90787896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).