3-propyl-3aH-indole

C11H13N — CID 126641239

IUPAC3-propyl-3aH-indole
SMILESCCCC1=CN=C2C=CC=CC12
InChIInChI=1S/C11H13N/c1-2-5-9-8-12-11-7-4-3-6-10(9)11/h3-4,6-8,10H,2,5H2,1H3
InChIKeyBLHLIZYRHLPFNN-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.87
Rot. Bonds2

About 3-propyl-3aH-indole

3-propyl-3aH-indole (PubChem CID 126641239) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-propyl-3aH-indole.

Molecular Properties

Compound Name3-propyl-3aH-indole
PubChem CID126641239
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name3-propyl-3aH-indole
SMILESCCCC1=CN=C2C=CC=CC12
InChIInChI=1S/C11H13N/c1-2-5-9-8-12-11-7-4-3-6-10(9)11/h3-4,6-8,10H,2,5H2,1H3
InChIKeyBLHLIZYRHLPFNN-UHFFFAOYSA-N
XLogP2.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-3aH-indole?
The IUPAC name of 3-propyl-3aH-indole (CID 126641239) is 3-propyl-3aH-indole.
What is the SMILES notation for 3-propyl-3aH-indole?
The canonical SMILES for 3-propyl-3aH-indole is CCCC1=CN=C2C=CC=CC12.
What is the InChIKey of 3-propyl-3aH-indole?
The InChIKey is BLHLIZYRHLPFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-5-9-8-12-11-7-4-3-6-10(9)11/h3-4,6-8,10H,2,5H2,1H3.
What are the key properties of 3-propyl-3aH-indole?
3-propyl-3aH-indole has a molecular weight of 159.23 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-3aH-indole is sourced from PubChem (CID 126641239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).