5-methyl-4-propan-2-yl-1H-indole

C12H15N — CID 23058098

IUPAC5-methyl-4-propan-2-yl-1H-indole
SMILESCc1ccc2[nH]ccc2c1C(C)C
InChIInChI=1S/C12H15N/c1-8(2)12-9(3)4-5-11-10(12)6-7-13-11/h4-8,13H,1-3H3
InChIKeyBSZAFSOWFWMMFR-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.60
Rot. Bonds1

About 5-methyl-4-propan-2-yl-1H-indole

5-methyl-4-propan-2-yl-1H-indole (PubChem CID 23058098) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 5-methyl-4-propan-2-yl-1H-indole.

Molecular Properties

Compound Name5-methyl-4-propan-2-yl-1H-indole
PubChem CID23058098
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name5-methyl-4-propan-2-yl-1H-indole
SMILESCc1ccc2[nH]ccc2c1C(C)C
InChIInChI=1S/C12H15N/c1-8(2)12-9(3)4-5-11-10(12)6-7-13-11/h4-8,13H,1-3H3
InChIKeyBSZAFSOWFWMMFR-UHFFFAOYSA-N
XLogP3.60
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propan-2-yl-1H-indole?
The IUPAC name of 5-methyl-4-propan-2-yl-1H-indole (CID 23058098) is 5-methyl-4-propan-2-yl-1H-indole.
What is the SMILES notation for 5-methyl-4-propan-2-yl-1H-indole?
The canonical SMILES for 5-methyl-4-propan-2-yl-1H-indole is Cc1ccc2[nH]ccc2c1C(C)C.
What is the InChIKey of 5-methyl-4-propan-2-yl-1H-indole?
The InChIKey is BSZAFSOWFWMMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-8(2)12-9(3)4-5-11-10(12)6-7-13-11/h4-8,13H,1-3H3.
What are the key properties of 5-methyl-4-propan-2-yl-1H-indole?
5-methyl-4-propan-2-yl-1H-indole has a molecular weight of 173.26 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propan-2-yl-1H-indole is sourced from PubChem (CID 23058098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).