3-propylidene-3a,7a-dihydroindole

C11H13N — CID 91496086

IUPAC3-propylidene-3a,7a-dihydroindole
SMILESCCC=C1C=NC2C=CC=CC12
InChIInChI=1S/C11H13N/c1-2-5-9-8-12-11-7-4-3-6-10(9)11/h3-8,10-11H,2H2,1H3
InChIKeyAGWYYXKVOGVURR-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.52
Rot. Bonds1

About 3-propylidene-3a,7a-dihydroindole

3-propylidene-3a,7a-dihydroindole (PubChem CID 91496086) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-propylidene-3a,7a-dihydroindole.

Molecular Properties

Compound Name3-propylidene-3a,7a-dihydroindole
PubChem CID91496086
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name3-propylidene-3a,7a-dihydroindole
SMILESCCC=C1C=NC2C=CC=CC12
InChIInChI=1S/C11H13N/c1-2-5-9-8-12-11-7-4-3-6-10(9)11/h3-8,10-11H,2H2,1H3
InChIKeyAGWYYXKVOGVURR-UHFFFAOYSA-N
XLogP2.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-Methyl-4a,8a-dihydroquinoline
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Frequently Asked Questions

What is the IUPAC name of 3-propylidene-3a,7a-dihydroindole?
The IUPAC name of 3-propylidene-3a,7a-dihydroindole (CID 91496086) is 3-propylidene-3a,7a-dihydroindole.
What is the SMILES notation for 3-propylidene-3a,7a-dihydroindole?
The canonical SMILES for 3-propylidene-3a,7a-dihydroindole is CCC=C1C=NC2C=CC=CC12.
What is the InChIKey of 3-propylidene-3a,7a-dihydroindole?
The InChIKey is AGWYYXKVOGVURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-5-9-8-12-11-7-4-3-6-10(9)11/h3-8,10-11H,2H2,1H3.
What are the key properties of 3-propylidene-3a,7a-dihydroindole?
3-propylidene-3a,7a-dihydroindole has a molecular weight of 159.23 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylidene-3a,7a-dihydroindole is sourced from PubChem (CID 91496086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).