6-(2-methylindol-1-yl)hexanoic acid

C15H19NO2 — CID 18735265

IUPAC6-(2-methylindol-1-yl)hexanoic acid
SMILESCc1cc2ccccc2n1CCCCCC(=O)O
InChIInChI=1S/C15H19NO2/c1-12-11-13-7-4-5-8-14(13)16(12)10-6-2-3-9-15(17)18/h4-5,7-8,11H,2-3,6,9-10H2,1H3,(H,17,18)
InChIKeyFRPWYCSFHSVVLQ-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.59
Rot. Bonds6

About 6-(2-methylindol-1-yl)hexanoic acid

6-(2-methylindol-1-yl)hexanoic acid (PubChem CID 18735265) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 6-(2-methylindol-1-yl)hexanoic acid.

Molecular Properties

Compound Name6-(2-methylindol-1-yl)hexanoic acid
PubChem CID18735265
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name6-(2-methylindol-1-yl)hexanoic acid
SMILESCc1cc2ccccc2n1CCCCCC(=O)O
InChIInChI=1S/C15H19NO2/c1-12-11-13-7-4-5-8-14(13)16(12)10-6-2-3-9-15(17)18/h4-5,7-8,11H,2-3,6,9-10H2,1H3,(H,17,18)
InChIKeyFRPWYCSFHSVVLQ-UHFFFAOYSA-N
XLogP3.59
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-methylindol-1-yl)hexanoic acid?
The IUPAC name of 6-(2-methylindol-1-yl)hexanoic acid (CID 18735265) is 6-(2-methylindol-1-yl)hexanoic acid.
What is the SMILES notation for 6-(2-methylindol-1-yl)hexanoic acid?
The canonical SMILES for 6-(2-methylindol-1-yl)hexanoic acid is Cc1cc2ccccc2n1CCCCCC(=O)O.
What is the InChIKey of 6-(2-methylindol-1-yl)hexanoic acid?
The InChIKey is FRPWYCSFHSVVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-12-11-13-7-4-5-8-14(13)16(12)10-6-2-3-9-15(17)18/h4-5,7-8,11H,2-3,6,9-10H2,1H3,(H,17,18).
What are the key properties of 6-(2-methylindol-1-yl)hexanoic acid?
6-(2-methylindol-1-yl)hexanoic acid has a molecular weight of 245.32 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylindol-1-yl)hexanoic acid is sourced from PubChem (CID 18735265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).