1-methyl-7-propan-2-yl-3a,7a-dihydroindazole

C11H16N2 — CID 168895753

IUPAC1-methyl-7-propan-2-yl-3a,7a-dihydroindazole
SMILESCC(C)C1=CC=CC2C=NN(C)C12
InChIInChI=1S/C11H16N2/c1-8(2)10-6-4-5-9-7-12-13(3)11(9)10/h4-9,11H,1-3H3
InChIKeyBFMOAKDSQYPKIU-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.05
Rot. Bonds1

About 1-methyl-7-propan-2-yl-3a,7a-dihydroindazole

1-methyl-7-propan-2-yl-3a,7a-dihydroindazole (PubChem CID 168895753) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-methyl-7-propan-2-yl-3a,7a-dihydroindazole.

Molecular Properties

Compound Name1-methyl-7-propan-2-yl-3a,7a-dihydroindazole
PubChem CID168895753
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-methyl-7-propan-2-yl-3a,7a-dihydroindazole
SMILESCC(C)C1=CC=CC2C=NN(C)C12
InChIInChI=1S/C11H16N2/c1-8(2)10-6-4-5-9-7-12-13(3)11(9)10/h4-9,11H,1-3H3
InChIKeyBFMOAKDSQYPKIU-UHFFFAOYSA-N
XLogP2.05
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-propan-2-yl-3a,7a-dihydroindazole?
The IUPAC name of 1-methyl-7-propan-2-yl-3a,7a-dihydroindazole (CID 168895753) is 1-methyl-7-propan-2-yl-3a,7a-dihydroindazole.
What is the SMILES notation for 1-methyl-7-propan-2-yl-3a,7a-dihydroindazole?
The canonical SMILES for 1-methyl-7-propan-2-yl-3a,7a-dihydroindazole is CC(C)C1=CC=CC2C=NN(C)C12.
What is the InChIKey of 1-methyl-7-propan-2-yl-3a,7a-dihydroindazole?
The InChIKey is BFMOAKDSQYPKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8(2)10-6-4-5-9-7-12-13(3)11(9)10/h4-9,11H,1-3H3.
What are the key properties of 1-methyl-7-propan-2-yl-3a,7a-dihydroindazole?
1-methyl-7-propan-2-yl-3a,7a-dihydroindazole has a molecular weight of 176.26 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-propan-2-yl-3a,7a-dihydroindazole is sourced from PubChem (CID 168895753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).