6-(3-methoxypropyl)-3-methyl-1H-indole

C13H17NO — CID 174517880

IUPAC6-(3-methoxypropyl)-3-methyl-1H-indole
SMILESCOCCCc1ccc2c(C)c[nH]c2c1
InChIInChI=1S/C13H17NO/c1-10-9-14-13-8-11(4-3-7-15-2)5-6-12(10)13/h5-6,8-9,14H,3-4,7H2,1-2H3
InChIKeyAKSIUROEWWMRNQ-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.06
Rot. Bonds4

About 6-(3-methoxypropyl)-3-methyl-1H-indole

6-(3-methoxypropyl)-3-methyl-1H-indole (PubChem CID 174517880) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 6-(3-methoxypropyl)-3-methyl-1H-indole.

Molecular Properties

Compound Name6-(3-methoxypropyl)-3-methyl-1H-indole
PubChem CID174517880
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name6-(3-methoxypropyl)-3-methyl-1H-indole
SMILESCOCCCc1ccc2c(C)c[nH]c2c1
InChIInChI=1S/C13H17NO/c1-10-9-14-13-8-11(4-3-7-15-2)5-6-12(10)13/h5-6,8-9,14H,3-4,7H2,1-2H3
InChIKeyAKSIUROEWWMRNQ-UHFFFAOYSA-N
XLogP3.06
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropyl)-3-methyl-1H-indole?
The IUPAC name of 6-(3-methoxypropyl)-3-methyl-1H-indole (CID 174517880) is 6-(3-methoxypropyl)-3-methyl-1H-indole.
What is the SMILES notation for 6-(3-methoxypropyl)-3-methyl-1H-indole?
The canonical SMILES for 6-(3-methoxypropyl)-3-methyl-1H-indole is COCCCc1ccc2c(C)c[nH]c2c1.
What is the InChIKey of 6-(3-methoxypropyl)-3-methyl-1H-indole?
The InChIKey is AKSIUROEWWMRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-9-14-13-8-11(4-3-7-15-2)5-6-12(10)13/h5-6,8-9,14H,3-4,7H2,1-2H3.
What are the key properties of 6-(3-methoxypropyl)-3-methyl-1H-indole?
6-(3-methoxypropyl)-3-methyl-1H-indole has a molecular weight of 203.28 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropyl)-3-methyl-1H-indole is sourced from PubChem (CID 174517880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).