6-propan-2-yl-7aH-indole

C11H13N — CID 134222572

IUPAC6-propan-2-yl-7aH-indole
SMILESCC(C)C1=CC2N=CC=C2C=C1
InChIInChI=1S/C11H13N/c1-8(2)10-4-3-9-5-6-12-11(9)7-10/h3-8,11H,1-2H3
InChIKeyWENJZMCMAAPXMR-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.52
Rot. Bonds1

About 6-propan-2-yl-7aH-indole

6-propan-2-yl-7aH-indole (PubChem CID 134222572) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 6-propan-2-yl-7aH-indole.

Molecular Properties

Compound Name6-propan-2-yl-7aH-indole
PubChem CID134222572
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name6-propan-2-yl-7aH-indole
SMILESCC(C)C1=CC2N=CC=C2C=C1
InChIInChI=1S/C11H13N/c1-8(2)10-4-3-9-5-6-12-11(9)7-10/h3-8,11H,1-2H3
InChIKeyWENJZMCMAAPXMR-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

Analyze 6-propan-2-yl-7aH-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-7aH-indole?
The IUPAC name of 6-propan-2-yl-7aH-indole (CID 134222572) is 6-propan-2-yl-7aH-indole.
What is the SMILES notation for 6-propan-2-yl-7aH-indole?
The canonical SMILES for 6-propan-2-yl-7aH-indole is CC(C)C1=CC2N=CC=C2C=C1.
What is the InChIKey of 6-propan-2-yl-7aH-indole?
The InChIKey is WENJZMCMAAPXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-8(2)10-4-3-9-5-6-12-11(9)7-10/h3-8,11H,1-2H3.
What are the key properties of 6-propan-2-yl-7aH-indole?
6-propan-2-yl-7aH-indole 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 6-propan-2-yl-7aH-indole is sourced from PubChem (CID 134222572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).