1-propyl-7,7a-dihydroindole

C11H15N — CID 88976238

IUPAC1-propyl-7,7a-dihydroindole
SMILESCCCN1C=CC2=CC=CCC21
InChIInChI=1S/C11H15N/c1-2-8-12-9-7-10-5-3-4-6-11(10)12/h3-5,7,9,11H,2,6,8H2,1H3
InChIKeyVOYXPQPUVTVBBD-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.48
Rot. Bonds2

About 1-propyl-7,7a-dihydroindole

1-propyl-7,7a-dihydroindole (PubChem CID 88976238) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-propyl-7,7a-dihydroindole.

Molecular Properties

Compound Name1-propyl-7,7a-dihydroindole
PubChem CID88976238
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1-propyl-7,7a-dihydroindole
SMILESCCCN1C=CC2=CC=CCC21
InChIInChI=1S/C11H15N/c1-2-8-12-9-7-10-5-3-4-6-11(10)12/h3-5,7,9,11H,2,6,8H2,1H3
InChIKeyVOYXPQPUVTVBBD-UHFFFAOYSA-N
XLogP2.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-7,7a-dihydroindole?
The IUPAC name of 1-propyl-7,7a-dihydroindole (CID 88976238) is 1-propyl-7,7a-dihydroindole.
What is the SMILES notation for 1-propyl-7,7a-dihydroindole?
The canonical SMILES for 1-propyl-7,7a-dihydroindole is CCCN1C=CC2=CC=CCC21.
What is the InChIKey of 1-propyl-7,7a-dihydroindole?
The InChIKey is VOYXPQPUVTVBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-2-8-12-9-7-10-5-3-4-6-11(10)12/h3-5,7,9,11H,2,6,8H2,1H3.
What are the key properties of 1-propyl-7,7a-dihydroindole?
1-propyl-7,7a-dihydroindole has a molecular weight of 161.25 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-7,7a-dihydroindole is sourced from PubChem (CID 88976238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).