3-ethyl-1-methyl-3a,7a-dihydroindole

C11H15N — CID 89347113

IUPAC3-ethyl-1-methyl-3a,7a-dihydroindole
SMILESCCC1=CN(C)C2C=CC=CC12
InChIInChI=1S/C11H15N/c1-3-9-8-12(2)11-7-5-4-6-10(9)11/h4-8,10-11H,3H2,1-2H3
InChIKeyHJDWFZNXCWKTRD-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.34
Rot. Bonds1

About 3-ethyl-1-methyl-3a,7a-dihydroindole

3-ethyl-1-methyl-3a,7a-dihydroindole (PubChem CID 89347113) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 3-ethyl-1-methyl-3a,7a-dihydroindole.

Molecular Properties

Compound Name3-ethyl-1-methyl-3a,7a-dihydroindole
PubChem CID89347113
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name3-ethyl-1-methyl-3a,7a-dihydroindole
SMILESCCC1=CN(C)C2C=CC=CC12
InChIInChI=1S/C11H15N/c1-3-9-8-12(2)11-7-5-4-6-10(9)11/h4-8,10-11H,3H2,1-2H3
InChIKeyHJDWFZNXCWKTRD-UHFFFAOYSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-3a,7a-dihydroindole?
The IUPAC name of 3-ethyl-1-methyl-3a,7a-dihydroindole (CID 89347113) is 3-ethyl-1-methyl-3a,7a-dihydroindole.
What is the SMILES notation for 3-ethyl-1-methyl-3a,7a-dihydroindole?
The canonical SMILES for 3-ethyl-1-methyl-3a,7a-dihydroindole is CCC1=CN(C)C2C=CC=CC12.
What is the InChIKey of 3-ethyl-1-methyl-3a,7a-dihydroindole?
The InChIKey is HJDWFZNXCWKTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-3-9-8-12(2)11-7-5-4-6-10(9)11/h4-8,10-11H,3H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-3a,7a-dihydroindole?
3-ethyl-1-methyl-3a,7a-dihydroindole has a molecular weight of 161.25 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-3a,7a-dihydroindole is sourced from PubChem (CID 89347113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).