5-propan-2-yloxy-1H-indole

C11H13NO — CID 16738054

IUPAC5-propan-2-yloxy-1H-indole
SMILESCC(C)Oc1ccc2[nH]ccc2c1
InChIInChI=1S/C11H13NO/c1-8(2)13-10-3-4-11-9(7-10)5-6-12-11/h3-8,12H,1-2H3
InChIKeyVKHXUUUFVWIWHH-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.96
Rot. Bonds2

About 5-propan-2-yloxy-1H-indole

5-propan-2-yloxy-1H-indole (PubChem CID 16738054) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-propan-2-yloxy-1H-indole.

Molecular Properties

Compound Name5-propan-2-yloxy-1H-indole
PubChem CID16738054
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name5-propan-2-yloxy-1H-indole
SMILESCC(C)Oc1ccc2[nH]ccc2c1
InChIInChI=1S/C11H13NO/c1-8(2)13-10-3-4-11-9(7-10)5-6-12-11/h3-8,12H,1-2H3
InChIKeyVKHXUUUFVWIWHH-UHFFFAOYSA-N
XLogP2.96
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-propan-2-yloxy-1H-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 5-propan-2-yloxy-1H-indole?
The IUPAC name of 5-propan-2-yloxy-1H-indole (CID 16738054) is 5-propan-2-yloxy-1H-indole.
What is the SMILES notation for 5-propan-2-yloxy-1H-indole?
The canonical SMILES for 5-propan-2-yloxy-1H-indole is CC(C)Oc1ccc2[nH]ccc2c1.
What is the InChIKey of 5-propan-2-yloxy-1H-indole?
The InChIKey is VKHXUUUFVWIWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8(2)13-10-3-4-11-9(7-10)5-6-12-11/h3-8,12H,1-2H3.
What are the key properties of 5-propan-2-yloxy-1H-indole?
5-propan-2-yloxy-1H-indole has a molecular weight of 175.23 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxy-1H-indole is sourced from PubChem (CID 16738054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).