7-propyl-6H-indole

C11H13N — CID 56638971

IUPAC7-propyl-6H-indole
SMILESCCCC1=C2N=CC=C2C=CC1
InChIInChI=1S/C11H13N/c1-2-4-9-5-3-6-10-7-8-12-11(9)10/h3,6-8H,2,4-5H2,1H3
InChIKeyMNQBMRAAFPSYFE-UHFFFAOYSA-N
MW159.23 g/mol
LogP3.01
Rot. Bonds2

About 7-propyl-6H-indole

7-propyl-6H-indole (PubChem CID 56638971) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 7-propyl-6H-indole.

Molecular Properties

Compound Name7-propyl-6H-indole
PubChem CID56638971
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name7-propyl-6H-indole
SMILESCCCC1=C2N=CC=C2C=CC1
InChIInChI=1S/C11H13N/c1-2-4-9-5-3-6-10-7-8-12-11(9)10/h3,6-8H,2,4-5H2,1H3
InChIKeyMNQBMRAAFPSYFE-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-propyl-6H-indole?
The IUPAC name of 7-propyl-6H-indole (CID 56638971) is 7-propyl-6H-indole.
What is the SMILES notation for 7-propyl-6H-indole?
The canonical SMILES for 7-propyl-6H-indole is CCCC1=C2N=CC=C2C=CC1.
What is the InChIKey of 7-propyl-6H-indole?
The InChIKey is MNQBMRAAFPSYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-4-9-5-3-6-10-7-8-12-11(9)10/h3,6-8H,2,4-5H2,1H3.
What are the key properties of 7-propyl-6H-indole?
7-propyl-6H-indole has a molecular weight of 159.23 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propyl-6H-indole is sourced from PubChem (CID 56638971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).